[(2E,5E)-18,19-bis(methylsulfanyl)-4-oxidanylidene-tricosa-2,5-dienyl] ethanoate

Systemtic Name: [(2E,5E)-18,19-bis(methylsulfanyl)-4-oxidanylidene-tricosa-2,5-dienyl] ethanoate Openeye Name: [(2E,5E)-18,19-bis(methylsulfanyl)-4-oxo-tricosa-2,5-dienyl] acetate CAS Name: acetic acid [(2E,5E)-18,19-bis(methylthio)-4-oxotricosa-2,5-dienyl] ester IUPAC Name: [(2E,5E)-18,19-bis(methylsulfanyl)-4-oxotricosa-2,5-dienyl] acetate Traditional Name: acetic acid [(2E,5E)-4-keto-18,19-bis(methylthio)tricosa-2,5-dienyl] ester Formula: C27H48O3S2 MolecularWeight: 484.79822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CCCCCCCCCCCC=CC(=O)C=CCOC(=O)C)SC)SC

Isomeric SMILES

CCCCC(C(CCCCCCCCCCC/C=C/C(=O)/C=C/COC(=O)C)SC)SC

InChI

InChI=1S/C27H48O3S2/c1-5-6-21-26(31-3)27(32-4)22-17-15-13-11-9-7-8-10-12-14-16-19-25(29)20-18-23-30-24(2)28/h16,18-20,26-27H,5-15,17,21-23H2,1-4H3/b19-16+,20-18+