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

Systemtic Name: [3-methyl-1-(9-oxidanyldecyl)-6-oxidanylidene-5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl] ethanoate Openeye Name: [5-(benzenesulfonyl)-1-(9-hydroxydecyl)-3-methyl-6-oxo-cyclohexa-2,4-dien-1-yl] acetate CAS Name: acetic acid [5-(benzenesulfonyl)-1-(9-hydroxydecyl)-3-methyl-6-oxo-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [5-(benzenesulfonyl)-1-(9-hydroxydecyl)-3-methyl-6-oxocyclohexa-2,4-dien-1-yl] acetate Traditional Name: acetic acid [5-besyl-1-(9-hydroxydecyl)-6-keto-3-methyl-cyclohexa-2,4-dien-1-yl] ester Formula: C25H34O6S MolecularWeight: 462.59886

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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)O)OC(=O)C

Isomeric SMILES

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

InChI

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