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(2E,5E)-18,19-bis(methylsulfanyl)-4-oxidanylidene-pentacosa-2,5-dienal

(2E,5E)-18,19-bis(methylsulfanyl)-4-oxidanylidene-pentacosa-2,5-dienal

Systemtic Name:(2E,5E)-18,19-bis(methylsulfanyl)-4-oxidanylidene-pentacosa-2,5-dienal
Openeye Name:(2E,5E)-18,19-bis(methylsulfanyl)-4-oxo-pentacosa-2,5-dienal
CAS Name:(2E,5E)-18,19-bis(methylthio)-4-oxopentacosa-2,5-dienal
IUPAC Name:(2E,5E)-18,19-bis(methylsulfanyl)-4-oxopentacosa-2,5-dienal
Traditional Name:(2E,5E)-4-keto-18,19-bis(methylthio)pentacosa-2,5-dienal
Formula: C27H48O2S2
MolecularWeight: 468.79882
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CCCCCCCCCCCC=CC(=O)C=CC=O)SC)SC


Isomeric SMILES

CCCCCCC(C(CCCCCCCCCCC/C=C/C(=O)/C=C/C=O)SC)SC


InChI

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


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