5-(4-methoxyphenyl)-2-(phenylsulfonylmethyl)cyclohexane-1,3-dione

Systemtic Name: 5-(4-methoxyphenyl)-2-(phenylsulfonylmethyl)cyclohexane-1,3-dione Openeye Name: 2-(benzenesulfonylmethyl)-5-(4-methoxyphenyl)cyclohexane-1,3-dione CAS Name: 2-(benzenesulfonylmethyl)-5-(4-methoxyphenyl)cyclohexane-1,3-dione IUPAC Name: 2-(benzenesulfonylmethyl)-5-(4-methoxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-(besylmethyl)-5-(4-methoxyphenyl)cyclohexane-1,3-quinone Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20O5S/c1-25-16-9-7-14(8-10-16)15-11-19(21)18(20(22)12-15)13-26(23,24)17-5-3-2-4-6-17/h2-10,15,18H,11-13H2,1H3