2-[(E)-12-(2-propanoyloxyphenyl)carbonyloxyoctadec-9-enoyl]oxybenzoic acid

Systemtic Name: 2-[(E)-12-(2-propanoyloxyphenyl)carbonyloxyoctadec-9-enoyl]oxybenzoic acid Openeye Name: 2-[(E)-12-(2-propanoyloxybenzoyl)oxyoctadec-9-enoyl]oxybenzoic acid CAS Name: 2-[(E)-1-oxo-12-[oxo-[2-(1-oxopropoxy)phenyl]methoxy]octadec-9-enoxy]benzoic acid IUPAC Name: 2-[(E)-12-(2-propanoyloxybenzoyl)oxyoctadec-9-enoyl]oxybenzoic acid Traditional Name: 2-[(E)-12-(2-propionyloxybenzoyl)oxyoctadec-9-enoyl]oxybenzoic acid Formula: C35H46O8 MolecularWeight: 594.73494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OC1=CC=CC=C1C(=O)O)OC(=O)C2=CC=CC=C2OC(=O)CC

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OC1=CC=CC=C1C(=O)O)OC(=O)C2=CC=CC=C2OC(=O)CC

InChI

InChI=1S/C35H46O8/c1-3-5-6-13-20-27(41-35(40)29-23-17-19-25-31(29)42-32(36)4-2)21-14-11-9-7-8-10-12-15-26-33(37)43-30-24-18-16-22-28(30)34(38)39/h11,14,16-19,22-25,27H,3-10,12-13,15,20-21,26H2,1-2H3,(H,38,39)/b14-11+