[(2E,5E)-20,21-bis(methylsulfanyl)-4-oxidanylidene-pentacosa-2,5-dienyl] ethanoate

Systemtic Name: [(2E,5E)-20,21-bis(methylsulfanyl)-4-oxidanylidene-pentacosa-2,5-dienyl] ethanoate Openeye Name: [(2E,5E)-20,21-bis(methylsulfanyl)-4-oxo-pentacosa-2,5-dienyl] acetate CAS Name: acetic acid [(2E,5E)-20,21-bis(methylthio)-4-oxopentacosa-2,5-dienyl] ester IUPAC Name: [(2E,5E)-20,21-bis(methylsulfanyl)-4-oxopentacosa-2,5-dienyl] acetate Traditional Name: acetic acid [(2E,5E)-4-keto-20,21-bis(methylthio)pentacosa-2,5-dienyl] ester Formula: C29H52O3S2 MolecularWeight: 512.85138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52O3S2/c1-5-6-23-28(33-3)29(34-4)24-19-17-15-13-11-9-7-8-10-12-14-16-18-21-27(31)22-20-25-32-26(2)30/h18,20-22,28-29H,5-17,19,23-25H2,1-4H3/b21-18+,22-20+