[6-oxidanylidene-1-(9-oxidanylnonyl)-5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl] ethanoate

Systemtic Name: [6-oxidanylidene-1-(9-oxidanylnonyl)-5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl] ethanoate Openeye Name: [5-(benzenesulfonyl)-1-(9-hydroxynonyl)-6-oxo-cyclohexa-2,4-dien-1-yl] acetate CAS Name: acetic acid [5-(benzenesulfonyl)-1-(9-hydroxynonyl)-6-oxo-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [5-(benzenesulfonyl)-1-(9-hydroxynonyl)-6-oxocyclohexa-2,4-dien-1-yl] acetate Traditional Name: acetic acid [5-besyl-1-(9-hydroxynonyl)-6-keto-cyclohexa-2,4-dien-1-yl] ester Formula: C23H30O6S MolecularWeight: 434.5457

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(C=CC=C(C1=O)S(=O)(=O)C2=CC=CC=C2)CCCCCCCCCO

Isomeric SMILES

CC(=O)OC1(C=CC=C(C1=O)S(=O)(=O)C2=CC=CC=C2)CCCCCCCCCO

InChI

InChI=1S/C23H30O6S/c1-19(25)29-23(16-10-5-3-2-4-6-11-18-24)17-12-15-21(22(23)26)30(27,28)20-13-8-7-9-14-20/h7-9,12-15,17,24H,2-6,10-11,16,18H2,1H3