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

Systemtic Name: [1-(10-methanoyloxyundecyl)-6-oxidanylidene-5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl] ethanoate Openeye Name: [5-(benzenesulfonyl)-1-(10-formyloxyundecyl)-6-oxo-cyclohexa-2,4-dien-1-yl] acetate CAS Name: acetic acid [5-(benzenesulfonyl)-1-(10-formyloxyundecyl)-6-oxo-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [5-(benzenesulfonyl)-1-(10-formyloxyundecyl)-6-oxocyclohexa-2,4-dien-1-yl] acetate Traditional Name: acetic acid [5-besyl-1-(10-formyloxyundecyl)-6-keto-cyclohexa-2,4-dien-1-yl] ester Formula: C26H34O7S MolecularWeight: 490.60896

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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)OC=O

Isomeric SMILES

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

InChI

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