[6-oxidanylidene-1-(12-oxidanyltridecyl)-5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl] ethanoate

Systemtic Name: [6-oxidanylidene-1-(12-oxidanyltridecyl)-5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl] ethanoate Openeye Name: [5-(benzenesulfonyl)-1-(12-hydroxytridecyl)-6-oxo-cyclohexa-2,4-dien-1-yl] acetate CAS Name: acetic acid [5-(benzenesulfonyl)-1-(12-hydroxytridecyl)-6-oxo-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [5-(benzenesulfonyl)-1-(12-hydroxytridecyl)-6-oxocyclohexa-2,4-dien-1-yl] acetate Traditional Name: acetic acid [5-besyl-1-(12-hydroxytridecyl)-6-keto-cyclohexa-2,4-dien-1-yl] ester Formula: C27H38O6S MolecularWeight: 490.65202

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCC1(C=CC=C(C1=O)S(=O)(=O)C2=CC=CC=C2)OC(=O)C)O

Isomeric SMILES

CC(CCCCCCCCCCCC1(C=CC=C(C1=O)S(=O)(=O)C2=CC=CC=C2)OC(=O)C)O

InChI

InChI=1S/C27H38O6S/c1-22(28)16-11-8-6-4-3-5-7-9-14-20-27(33-23(2)29)21-15-19-25(26(27)30)34(31,32)24-17-12-10-13-18-24/h10,12-13,15,17-19,21-22,28H,3-9,11,14,16,20H2,1-2H3