6-methyl-2-[4-methyl-2-(phenylsulfonyl)cyclohex-3-en-1-yl]-6-oxidanyl-heptan-3-one

Systemtic Name: 6-methyl-2-[4-methyl-2-(phenylsulfonyl)cyclohex-3-en-1-yl]-6-oxidanyl-heptan-3-one Openeye Name: 2-[2-(benzenesulfonyl)-4-methyl-cyclohex-3-en-1-yl]-6-hydroxy-6-methyl-heptan-3-one CAS Name: 2-[2-(benzenesulfonyl)-4-methyl-1-cyclohex-3-enyl]-6-hydroxy-6-methyl-3-heptanone IUPAC Name: 2-[2-(benzenesulfonyl)-4-methylcyclohex-3-en-1-yl]-6-hydroxy-6-methylheptan-3-one Traditional Name: 2-(2-besyl-4-methyl-cyclohex-3-en-1-yl)-6-hydroxy-6-methyl-heptan-3-one Formula: C21H30O4S MolecularWeight: 378.5255

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(CC1)C(C)C(=O)CCC(C)(C)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(C(CC1)C(C)C(=O)CCC(C)(C)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H30O4S/c1-15-10-11-18(16(2)19(22)12-13-21(3,4)23)20(14-15)26(24,25)17-8-6-5-7-9-17/h5-9,14,16,18,20,23H,10-13H2,1-4H3