3-[3-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-2-oxidanyl-propoxy]carbonylbenzoic acid

Systemtic Name: 3-[3-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-2-oxidanyl-propoxy]carbonylbenzoic acid Openeye Name: 3-[2-hydroxy-3-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-propoxy]carbonylbenzoic acid CAS Name: 3-[[2-hydroxy-3-[(9Z,11Z)-1-oxooctadeca-9,11-dienoxy]propoxy]-oxomethyl]benzoic acid IUPAC Name: 3-[2-hydroxy-3-[(9Z,11Z)-octadeca-9,11-dienoyl]oxypropoxy]carbonylbenzoic acid Traditional Name: 3-[2-hydroxy-3-[(9Z,11Z)-octadeca-9,11-dienoyl]oxy-propoxy]carbonylbenzoic acid Formula: C29H42O7 MolecularWeight: 502.63958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC=CCCCCCCCC(=O)OCC(COC(=O)C1=CC=CC(=C1)C(=O)O)O

Isomeric SMILES

CCCCCC/C=C\C=C/CCCCCCCC(=O)OCC(COC(=O)C1=CC=CC(=C1)C(=O)O)O

InChI

InChI=1S/C29H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27(31)35-22-26(30)23-36-29(34)25-19-17-18-24(21-25)28(32)33/h7-10,17-19,21,26,30H,2-6,11-16,20,22-23H2,1H3,(H,32,33)/b8-7-,10-9-