2-[1-[(E)-12-acetyloxyoctadec-9-enoyl]oxyethoxy]ethyl benzoate

Systemtic Name: 2-[1-[(E)-12-acetyloxyoctadec-9-enoyl]oxyethoxy]ethyl benzoate Openeye Name: 2-[1-[(E)-12-acetoxyoctadec-9-enoyl]oxyethoxy]ethyl benzoate CAS Name: benzoic acid 2-[1-[(E)-12-acetyloxy-1-oxooctadec-9-enoxy]ethoxy]ethyl ester IUPAC Name: 2-[1-[(E)-12-acetyloxyoctadec-9-enoyl]oxyethoxy]ethyl benzoate Traditional Name: benzoic acid 2-[1-[(E)-12-acetoxyoctadec-9-enoyl]oxyethoxy]ethyl ester Formula: C31H48O7 MolecularWeight: 532.70862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48O7/c1-4-5-6-16-21-29(37-26(2)32)22-17-11-9-7-8-10-12-18-23-30(33)38-27(3)35-24-25-36-31(34)28-19-14-13-15-20-28/h11,13-15,17,19-20,27,29H,4-10,12,16,18,21-25H2,1-3H3/b17-11+