(2E,5E)-20,21-bis(methylsulfanyl)-4-oxidanylidene-pentacosa-2,5-dienal

Systemtic Name: (2E,5E)-20,21-bis(methylsulfanyl)-4-oxidanylidene-pentacosa-2,5-dienal Openeye Name: (2E,5E)-20,21-bis(methylsulfanyl)-4-oxo-pentacosa-2,5-dienal CAS Name: (2E,5E)-20,21-bis(methylthio)-4-oxopentacosa-2,5-dienal IUPAC Name: (2E,5E)-20,21-bis(methylsulfanyl)-4-oxopentacosa-2,5-dienal Traditional Name: (2E,5E)-4-keto-20,21-bis(methylthio)pentacosa-2,5-dienal Formula: C27H48O2S2 MolecularWeight: 468.79882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48O2S2/c1-4-5-22-26(30-2)27(31-3)23-18-16-14-12-10-8-6-7-9-11-13-15-17-20-25(29)21-19-24-28/h17,19-21,24,26-27H,4-16,18,22-23H2,1-3H3/b20-17+,21-19+