[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-oxidanyl-propyl] benzoate

Systemtic Name: [2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-oxidanyl-propyl] benzoate Openeye Name: [3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] benzoate CAS Name: benzoic acid [3-hydroxy-2-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propyl] ester IUPAC Name: [3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] benzoate Traditional Name: benzoic acid [3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] ester Formula: C28H42O5 MolecularWeight: 458.63008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C28H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(30)33-26(23-29)24-32-28(31)25-20-17-16-18-21-25/h6-7,9-10,16-18,20-21,26,29H,2-5,8,11-15,19,22-24H2,1H3/b7-6-,10-9-