[6-oxidanylidene-1-(10-oxidanylundecyl)-5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl] ethanoate

Systemtic Name: [6-oxidanylidene-1-(10-oxidanylundecyl)-5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl] ethanoate Openeye Name: [5-(benzenesulfonyl)-1-(10-hydroxyundecyl)-6-oxo-cyclohexa-2,4-dien-1-yl] acetate CAS Name: acetic acid [5-(benzenesulfonyl)-1-(10-hydroxyundecyl)-6-oxo-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [5-(benzenesulfonyl)-1-(10-hydroxyundecyl)-6-oxocyclohexa-2,4-dien-1-yl] acetate Traditional Name: acetic acid [5-besyl-1-(10-hydroxyundecyl)-6-keto-cyclohexa-2,4-dien-1-yl] ester Formula: C25H34O6S MolecularWeight: 462.59886

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCC1(C=CC=C(C1=O)S(=O)(=O)C2=CC=CC=C2)OC(=O)C)O

Isomeric SMILES

CC(CCCCCCCCCC1(C=CC=C(C1=O)S(=O)(=O)C2=CC=CC=C2)OC(=O)C)O

InChI

InChI=1S/C25H34O6S/c1-20(26)14-9-6-4-3-5-7-12-18-25(31-21(2)27)19-13-17-23(24(25)28)32(29,30)22-15-10-8-11-16-22/h8,10-11,13,15-17,19-20,26H,3-7,9,12,14,18H2,1-2H3