[1-(9-methanoyloxydecyl)-3-methyl-6-oxidanylidene-5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl] ethanoate

Systemtic Name: [1-(9-methanoyloxydecyl)-3-methyl-6-oxidanylidene-5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl] ethanoate Openeye Name: [5-(benzenesulfonyl)-1-(9-formyloxydecyl)-3-methyl-6-oxo-cyclohexa-2,4-dien-1-yl] acetate CAS Name: acetic acid [5-(benzenesulfonyl)-1-(9-formyloxydecyl)-3-methyl-6-oxo-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [5-(benzenesulfonyl)-1-(9-formyloxydecyl)-3-methyl-6-oxocyclohexa-2,4-dien-1-yl] acetate Traditional Name: acetic acid [5-besyl-1-(9-formyloxydecyl)-6-keto-3-methyl-cyclohexa-2,4-dien-1-yl] ester Formula: C26H34O7S MolecularWeight: 490.60896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=O)C(=C1)S(=O)(=O)C2=CC=CC=C2)(CCCCCCCCC(C)OC=O)OC(=O)C

Isomeric SMILES

CC1=CC(C(=O)C(=C1)S(=O)(=O)C2=CC=CC=C2)(CCCCCCCCC(C)OC=O)OC(=O)C

InChI

InChI=1S/C26H34O7S/c1-20-17-24(34(30,31)23-14-10-8-11-15-23)25(29)26(18-20,33-22(3)28)16-12-7-5-4-6-9-13-21(2)32-19-27/h8,10-11,14-15,17-19,21H,4-7,9,12-13,16H2,1-3H3