5-octyl-3-(5-octyl-3-oxidanylidene-cyclohexa-1,5-dien-1-yl)sulfonyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 5-octyl-3-(5-octyl-3-oxidanylidene-cyclohexa-1,5-dien-1-yl)sulfonyl-cyclohexa-2,4-dien-1-one Openeye Name: 5-octyl-3-(5-octyl-3-oxo-cyclohexa-1,5-dien-1-yl)sulfonyl-cyclohexa-2,4-dien-1-one CAS Name: 5-octyl-3-[(5-octyl-3-oxo-1-cyclohexa-1,5-dienyl)sulfonyl]-1-cyclohexa-2,4-dienone IUPAC Name: 5-octyl-3-(5-octyl-3-oxocyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-one Traditional Name: 3-(3-keto-5-octyl-cyclohexa-1,5-dien-1-yl)sulfonyl-5-octyl-cyclohexa-2,4-dien-1-one Formula: C28H42O4S MolecularWeight: 474.69568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=CC(=O)C1)S(=O)(=O)C2=CC(=O)CC(=C2)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC(=CC(=O)C1)S(=O)(=O)C2=CC(=O)CC(=C2)CCCCCCCC

InChI

InChI=1S/C28H42O4S/c1-3-5-7-9-11-13-15-23-17-25(29)21-27(19-23)33(31,32)28-20-24(18-26(30)22-28)16-14-12-10-8-6-4-2/h19-22H,3-18H2,1-2H3