tert-butyl 2-methyl-3-(phenylsulfonyl)cyclohexene-1-carboxylate

Systemtic Name: tert-butyl 2-methyl-3-(phenylsulfonyl)cyclohexene-1-carboxylate Openeye Name: tert-butyl 3-(benzenesulfonyl)-2-methyl-cyclohexene-1-carboxylate CAS Name: 3-(benzenesulfonyl)-2-methyl-1-cyclohexenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(benzenesulfonyl)-2-methylcyclohexene-1-carboxylate Traditional Name: 3-besyl-2-methyl-cyclohexene-1-carboxylic acid tert-butyl ester Formula: C18H24O4S MolecularWeight: 336.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCCC1S(=O)(=O)C2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(CCCC1S(=O)(=O)C2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H24O4S/c1-13-15(17(19)22-18(2,3)4)11-8-12-16(13)23(20,21)14-9-6-5-7-10-14/h5-7,9-10,16H,8,11-12H2,1-4H3