1-[(E)-12-acetyloxyoctadec-9-enoyl]oxyethyl benzoate

Systemtic Name: 1-[(E)-12-acetyloxyoctadec-9-enoyl]oxyethyl benzoate Openeye Name: 1-[(E)-12-acetoxyoctadec-9-enoyl]oxyethyl benzoate CAS Name: benzoic acid 1-[(E)-12-acetyloxy-1-oxooctadec-9-enoxy]ethyl ester IUPAC Name: 1-[(E)-12-acetyloxyoctadec-9-enoyl]oxyethyl benzoate Traditional Name: benzoic acid 1-[(E)-12-acetoxyoctadec-9-enoyl]oxyethyl ester Formula: C29H44O6 MolecularWeight: 488.65606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OC(C)OC(=O)C1=CC=CC=C1)OC(=O)C

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OC(C)OC(=O)C1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C29H44O6/c1-4-5-6-16-21-27(33-24(2)30)22-17-11-9-7-8-10-12-18-23-28(31)34-25(3)35-29(32)26-19-14-13-15-20-26/h11,13-15,17,19-20,25,27H,4-10,12,16,18,21-23H2,1-3H3/b17-11+