5,5-dimethyl-3-oxidanyl-2-(phenylmethyl)sulfonyl-cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-3-oxidanyl-2-(phenylmethyl)sulfonyl-cyclohex-2-en-1-one Openeye Name: 2-benzylsulfonyl-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-hydroxy-5,5-dimethyl-2-(phenylmethyl)sulfonyl-1-cyclohex-2-enone IUPAC Name: 2-benzylsulfonyl-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-benzylsulfonyl-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one Formula: C15H18O4S MolecularWeight: 294.36602

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)S(=O)(=O)CC2=CC=CC=C2)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)S(=O)(=O)CC2=CC=CC=C2)O)C

InChI

InChI=1S/C15H18O4S/c1-15(2)8-12(16)14(13(17)9-15)20(18,19)10-11-6-4-3-5-7-11/h3-7,16H,8-10H2,1-2H3