[(2E,5E)-14,15-bis(methylsulfanyl)-4-oxidanylidene-tricosa-2,5-dienyl] ethanoate

Systemtic Name: [(2E,5E)-14,15-bis(methylsulfanyl)-4-oxidanylidene-tricosa-2,5-dienyl] ethanoate Openeye Name: [(2E,5E)-14,15-bis(methylsulfanyl)-4-oxo-tricosa-2,5-dienyl] acetate CAS Name: acetic acid [(2E,5E)-14,15-bis(methylthio)-4-oxotricosa-2,5-dienyl] ester IUPAC Name: [(2E,5E)-14,15-bis(methylsulfanyl)-4-oxotricosa-2,5-dienyl] acetate Traditional Name: acetic acid [(2E,5E)-4-keto-14,15-bis(methylthio)tricosa-2,5-dienyl] ester Formula: C27H48O3S2 MolecularWeight: 484.79822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCC=CC(=O)C=CCOC(=O)C)SC)SC

Isomeric SMILES

CCCCCCCCC(C(CCCCCCC/C=C/C(=O)/C=C/COC(=O)C)SC)SC

InChI

InChI=1S/C27H48O3S2/c1-5-6-7-8-13-16-21-26(31-3)27(32-4)22-17-14-11-9-10-12-15-19-25(29)20-18-23-30-24(2)28/h15,18-20,26-27H,5-14,16-17,21-23H2,1-4H3/b19-15+,20-18+