Detergents

Cas#: 26658-19-5        Compound CID:  341114147

Formula:  C₆₀H₁₁₄O₈        Molecular Weight: 963.54

Cas#: 1338-43-8        Compound CID:  9920342

Formula:  C₂₄H₄₄O₆        Molecular Weight: 428.61

IUPAC Name: [(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-octadec-9-enoate

SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O

InChIKey: NWGKJDSIEKMTRX-AAZCQSIUSA-N

InChI: InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3/b10-9-/t20-,21+,23+,24+/m0/s1

Cas#: 31835-06-0       

Formula:  C₂₂H₄₀O₁₂        Molecular Weight: 496.55

Cas#: 112-25-4        Compound CID:  8170

Formula:  C₈H₁₈O₂        Molecular Weight: 146.23

IUPAC Name: 2-hexoxyethanol

SMILES: CCCCCCOCCO

InChIKey: UPGSWASWQBLSKZ-UHFFFAOYSA-N

InChI: InChI=1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3

Cas#: 82494-09-5        Compound CID:  5288728

Formula:  C₂₂H₄₂O₁₁        Molecular Weight: 482.56

IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-decoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

SMILES: CCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O

InChIKey: WOQQAWHSKSSAGF-WXFJLFHKSA-N

InChI: InChI=1S/C22H42O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13-29H,2-12H2,1H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1

Cas#: 3734-33-6        Compound CID:  19518

Formula:  C₂₁H₂₉N₂O·C₇H₅O₂        Molecular Weight: 446.58

IUPAC Name: benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;benzoate

SMILES: CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.C1=CC=C(C=C1)C(=O)[O-]

InChIKey: VWTINHYPRWEBQY-UHFFFAOYSA-N

InChI: InChI=1S/C21H28N2O.C7H6O2/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9)

Cas#: 86303-23-3        Compound CID:  446320

Formula:  C₄₂H₇₅N₃O₁₅        Molecular Weight: 862.06

IUPAC Name: (2R,3S,4R,5R)-N-[3-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]amino]propyl]-2,3,4,5,6-pentahydroxyhexanamide

SMILES: CC(CCC(=O)N(CCCNC(=O)C(C(C(C(CO)O)O)O)O)CCCNC(=O)C(C(C(C(CO)O)O)O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

InChIKey: OJSUWTDDXLCUFR-HGZMBBKESA-N

InChI: InChI=1S/C42H75N3O15/c1-22(26-9-10-27-25-8-7-23-18-24(48)12-13-41(23,2)28(25)19-31(51)42(26,27)3)6-11-32(52)45(16-4-14-43-39(59)37(57)35(55)33(53)29(49)20-46)17-5-15-44-40(60)38(58)36(56)34(54)30(50)21-47/h22-31,33-38,46-51,53-58H,4-21H2,1-3H3,(H,43,59)(H,44,60)/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31+,33-,34-,35+,36+,37-,38-,41+,42-/m1/s1

Cas#: 83-44-3        Compound CID:  222528

Formula:  C₂₄H₄₀O₄        Molecular Weight: 392.58

IUPAC Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

SMILES: CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

InChIKey: KXGVEGMKQFWNSR-LLQZFEROSA-N

InChI: InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1

Cas#: 35807-85-3        Compound CID:  46782978

Formula:  C₂₆H₄₄NO₆SNa        Molecular Weight: 521.7

IUPAC Name: sodium;2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate

SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]

InChIKey: IYPNVUSIMGAJFC-JUWYWQLMSA-M

InChI: InChI=1S/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-;/m1./s1

Cas#: 1192657-83-2        Compound CID:  24856164

Formula:  C₂₆H₄₃NO₆ · xH₂O        Molecular Weight: 465.62

IUPAC Name: 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid;hydrate

SMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.O

InChIKey: WDKPRHOCWKLQPK-ZUHYDKSRSA-N

InChI: InChI=1S/C26H43NO6.H2O/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);1H2/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1

Cas#: 216667-08-2        Compound CID:  4046965

Formula:  C₂₂H₄₆N₂O₄S        Molecular Weight: 434.68

IUPAC Name: 3-[dimethyl-[3-(tetradecanoylamino)propyl]azaniumyl]propane-1-sulfonate

SMILES: CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-]

InChIKey: UTSXERRKRAEDOV-UHFFFAOYSA-N

InChI: InChI=1S/C22H46N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-17-22(25)23-18-15-19-24(2,3)20-16-21-29(26,27)28/h4-21H2,1-3H3,(H-,23,25,26,27,28)

Cas#: 2197-63-9        Compound CID:  75143

Formula:  C₃₂H₆₇O₄P        Molecular Weight: 546.85

IUPAC Name: dihexadecyl hydrogen phosphate

SMILES: CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC

InChIKey: RNPXCFINMKSQPQ-UHFFFAOYSA-N

InChI: InChI=1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34)