[6-oxidanylidene-1-(13-oxidanyltetradecyl)-5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl] ethanoate

Systemtic Name: [6-oxidanylidene-1-(13-oxidanyltetradecyl)-5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl] ethanoate Openeye Name: [5-(benzenesulfonyl)-1-(13-hydroxytetradecyl)-6-oxo-cyclohexa-2,4-dien-1-yl] acetate CAS Name: acetic acid [5-(benzenesulfonyl)-1-(13-hydroxytetradecyl)-6-oxo-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [5-(benzenesulfonyl)-1-(13-hydroxytetradecyl)-6-oxocyclohexa-2,4-dien-1-yl] acetate Traditional Name: acetic acid [5-besyl-1-(13-hydroxytetradecyl)-6-keto-cyclohexa-2,4-dien-1-yl] ester Formula: C28H40O6S MolecularWeight: 504.6786

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCCC1(C=CC=C(C1=O)S(=O)(=O)C2=CC=CC=C2)OC(=O)C)O

Isomeric SMILES

CC(CCCCCCCCCCCCC1(C=CC=C(C1=O)S(=O)(=O)C2=CC=CC=C2)OC(=O)C)O

InChI

InChI=1S/C28H40O6S/c1-23(29)17-12-9-7-5-3-4-6-8-10-15-21-28(34-24(2)30)22-16-20-26(27(28)31)35(32,33)25-18-13-11-14-19-25/h11,13-14,16,18-20,22-23,29H,3-10,12,15,17,21H2,1-2H3