3-acetyloxypropyl (6E,9E,12E)-octadeca-6,9,12-trienoate; benzene

Systemtic Name: 3-acetyloxypropyl (6E,9E,12E)-octadeca-6,9,12-trienoate; benzene Openeye Name: 3-acetoxypropyl (6E,9E,12E)-octadeca-6,9,12-trienoate; benzene CAS Name: benzene; (6E,9E,12E)-octadeca-6,9,12-trienoic acid 3-acetyloxypropyl ester IUPAC Name: 3-acetyloxypropyl (6E,9E,12E)-octadeca-6,9,12-trienoate; benzene Traditional Name: benzene; (6E,9E,12E)-octadeca-6,9,12-trienoic acid 3-acetoxypropyl ester Formula: C29H44O4 MolecularWeight: 456.65726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCC=CCCCCC(=O)OCCCOC(=O)C.C1=CC=CC=C1

Isomeric SMILES

CCCCC/C=C/C/C=C/C/C=C/CCCCC(=O)OCCCOC(=O)C.C1=CC=CC=C1

InChI

InChI=1S/C23H38O4.C6H6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(25)27-21-18-20-26-22(2)24;1-2-4-6-5-3-1/h7-8,10-11,13-14H,3-6,9,12,15-21H2,1-2H3;1-6H/b8-7+,11-10+,14-13+;