(2E,5E)-16,17-bis(methylsulfanyl)-4-oxidanylidene-pentacosa-2,5-dienal

Systemtic Name: (2E,5E)-16,17-bis(methylsulfanyl)-4-oxidanylidene-pentacosa-2,5-dienal Openeye Name: (2E,5E)-16,17-bis(methylsulfanyl)-4-oxo-pentacosa-2,5-dienal CAS Name: (2E,5E)-16,17-bis(methylthio)-4-oxopentacosa-2,5-dienal IUPAC Name: (2E,5E)-16,17-bis(methylsulfanyl)-4-oxopentacosa-2,5-dienal Traditional Name: (2E,5E)-4-keto-16,17-bis(methylthio)pentacosa-2,5-dienal Formula: C27H48O2S2 MolecularWeight: 468.79882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCCCC=CC(=O)C=CC=O)SC)SC

Isomeric SMILES

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

InChI

InChI=1S/C27H48O2S2/c1-4-5-6-7-14-17-22-26(30-2)27(31-3)23-18-15-12-10-8-9-11-13-16-20-25(29)21-19-24-28/h16,19-21,24,26-27H,4-15,17-18,22-23H2,1-3H3/b20-16+,21-19+