2-(2-chloranyl-4,5-dimethyl-phenyl)-4-(phenylsulfonylmethyl)cyclopentane-1,3-dione

Systemtic Name: 2-(2-chloranyl-4,5-dimethyl-phenyl)-4-(phenylsulfonylmethyl)cyclopentane-1,3-dione Openeye Name: 4-(benzenesulfonylmethyl)-2-(2-chloro-4,5-dimethyl-phenyl)cyclopentane-1,3-dione CAS Name: 4-(benzenesulfonylmethyl)-2-(2-chloro-4,5-dimethylphenyl)cyclopentane-1,3-dione IUPAC Name: 4-(benzenesulfonylmethyl)-2-(2-chloro-4,5-dimethylphenyl)cyclopentane-1,3-dione Traditional Name: 4-(besylmethyl)-2-(2-chloro-4,5-dimethyl-phenyl)cyclopentane-1,3-quinone Formula: C20H19ClO4S MolecularWeight: 390.88046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2C(=O)CC(C2=O)CS(=O)(=O)C3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C2C(=O)CC(C2=O)CS(=O)(=O)C3=CC=CC=C3)Cl)C

InChI

InChI=1S/C20H19ClO4S/c1-12-8-16(17(21)9-13(12)2)19-18(22)10-14(20(19)23)11-26(24,25)15-6-4-3-5-7-15/h3-9,14,19H,10-11H2,1-2H3