1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-oxidanyl-propane-1,2,3-tricarboxylic acid

Systemtic Name: 1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-oxidanyl-propane-1,2,3-tricarboxylic acid Openeye Name: 2-hydroxy-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propane-1,2,3-tricarboxylic acid CAS Name: 2-hydroxy-1-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxy-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropane-1,2,3-tricarboxylic acid Traditional Name: 2-hydroxy-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propane-1,2,3-tricarboxylic acid Formula: C24H38O9 MolecularWeight: 470.55312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OC(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C24H38O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(27)33-21(22(28)29)24(32,23(30)31)18-19(25)26/h6-7,9-10,21,32H,2-5,8,11-18H2,1H3,(H,25,26)(H,28,29)(H,30,31)/b7-6-,10-9-