cyclopentylsulfonyl 2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-sulfanyl-ethanoate

Systemtic Name: cyclopentylsulfonyl 2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-sulfanyl-ethanoate Openeye Name: cyclopentylsulfonyl 2-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-sulfanyl-acetate CAS Name: 2-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-2-mercaptoacetic acid cyclopentylsulfonyl ester IUPAC Name: cyclopentylsulfonyl 2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2-sulfanylacetate Traditional Name: 2-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-2-mercapto-acetic acid cyclopentylsulfonyl ester Formula: C21H30O5S2 MolecularWeight: 426.5899

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=O)OS(=O)(=O)C2CCCC2)S)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=O)OS(=O)(=O)C2CCCC2)S)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C21H30O5S2/c1-20(2,3)15-11-13(12-16(17(15)22)21(4,5)6)18(27)19(23)26-28(24,25)14-9-7-8-10-14/h11-12,14,27H,7-10H2,1-6H3