Lipids

Cas#: 542-44-9        Compound CID:  14900

Formula:  C₁₉H₃₈O₄        Molecular Weight: 330.51

IUPAC Name: 2,3-dihydroxypropyl hexadecanoate

SMILES: CCCCCCCCCCCCCCCC(=O)OCC(CO)O

InChIKey: QHZLMUACJMDIAE-UHFFFAOYSA-N

InChI: InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3

Cas#: 142-18-7        Compound CID:  14871

Formula:  C₁₅H₃₀O₄        Molecular Weight: 274.4

IUPAC Name: 2,3-dihydroxypropyl dodecanoate

SMILES: CCCCCCCCCCCC(=O)OCC(CO)O

InChIKey: ARIWANIATODDMH-UHFFFAOYSA-N

InChI: InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3

Cas#: 7367-81-9        Compound CID:  5364532

Formula:  C₉H₁₆O₂        Molecular Weight: 156.23

IUPAC Name: methyl (E)-oct-2-enoate

SMILES: CCCCCC=CC(=O)OC

InChIKey: CJBQSBZJDJHMLF-BQYQJAHWSA-N

InChI: InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3/b8-7+

Cas#: 27214-90-0        Compound CID:  117949

Formula:  C₂₆H₅₀O₄        Molecular Weight: 426.67

IUPAC Name: bis(6-methylheptyl) decanedioate

SMILES: CC(C)CCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC(C)C

InChIKey: ZWYAVGUHWPLBGT-UHFFFAOYSA-N

InChI: InChI=1S/C26H50O4/c1-23(2)17-11-9-15-21-29-25(27)19-13-7-5-6-8-14-20-26(28)30-22-16-10-12-18-24(3)4/h23-24H,5-22H2,1-4H3

Cas#: 21658-95-7        Compound CID:  88997

Formula:  C₈H₁₆NO₃P        Molecular Weight: 205.19

IUPAC Name: 2-di(propan-2-yloxy)phosphorylacetonitrile

SMILES: CC(C)OP(=O)(CC#N)OC(C)C

InChIKey: MQDIIJHQSUNBKA-UHFFFAOYSA-N

InChI: InChI=1S/C8H16NO3P/c1-7(2)11-13(10,6-5-9)12-8(3)4/h7-8H,6H2,1-4H3

Cas#: 555-45-3        Compound CID:  11148

Formula:  C₄₅H₈₆O₆        Molecular Weight: 723.18

IUPAC Name: 2,3-di(tetradecanoyloxy)propyl tetradecanoate

SMILES: CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

InChIKey: DUXYWXYOBMKGIN-UHFFFAOYSA-N

InChI: InChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3

Cas#: 3634-92-2        Compound CID:  77190

Formula:  C₂₁H₄₂O₂        Molecular Weight: 326.56

IUPAC Name: propyl octadecanoate

SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCC

InChIKey: BTAXGNQLYFDKEF-UHFFFAOYSA-N

InChI: InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h3-20H2,1-2H3

Cas#: 111-58-0        Compound CID:  5283454

Formula:  C₂₀H₃₉NO₂        Molecular Weight: 325.529

IUPAC Name: (Z)-N-(2-hydroxyethyl)octadec-9-enamide

SMILES: CCCCCCCCC=CCCCCCCCC(=O)NCCO

InChIKey: BOWVQLFMWHZBEF-KTKRTIGZSA-N

InChI: InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-

Cas#: 26040-51-7        Compound CID:  117291

Formula:  C₂₄H₃₄Br₄O₄        Molecular Weight: 706.14

IUPAC Name: bis(2-ethylhexyl) 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate

SMILES: CCCCC(CC)COC(=O)C1=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)OCC(CC)CCCC

InChIKey: UUEDINPOVKWVAZ-UHFFFAOYSA-N

InChI: InChI=1S/C24H34Br4O4/c1-5-9-11-15(7-3)13-31-23(29)17-18(20(26)22(28)21(27)19(17)25)24(30)32-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3

Cas#: 36389-07-8        Compound CID:  2736368

Formula:  C₉H₈N₂O₃        Molecular Weight: 192.17

IUPAC Name: ethyl 2,1,3-benzoxadiazole-5-carboxylate

SMILES: CCOC(=O)C1=CC2=NON=C2C=C1

InChIKey: ZTZZIZQMAQKOPC-UHFFFAOYSA-N

InChI: InChI=1S/C9H8N2O3/c1-2-13-9(12)6-3-4-7-8(5-6)11-14-10-7/h3-5H,2H2,1H3

Cas#: 588-43-2        Compound CID:  68521

Formula:  C₁₃H₂₈O₃        Molecular Weight: 232.36

IUPAC Name: 1-(dibutoxymethoxy)butane

SMILES: CCCCOC(OCCCC)OCCCC

InChIKey: SGJBIFUEFLWXJY-UHFFFAOYSA-N

InChI: InChI=1S/C13H28O3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h13H,4-12H2,1-3H3

Cas#: 111-03-5        Compound CID:  5283468

Formula:  C₂₁H₄₀O₄        Molecular Weight: 356.54

IUPAC Name: 2,3-dihydroxypropyl (Z)-octadec-9-enoate

SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O

InChIKey: RZRNAYUHWVFMIP-KTKRTIGZSA-N

InChI: InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-