2-(4-chlorophenyl)-5,6-dimethyl-3-(3-methyl-3-oxidanyl-butyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-(4-chlorophenyl)-5,6-dimethyl-3-(3-methyl-3-oxidanyl-butyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-(4-chlorophenyl)-3-(3-hydroxy-3-methyl-butyl)-5,6-dimethyl-1,4-benzoquinone CAS Name: 2-(4-chlorophenyl)-3-(3-hydroxy-3-methylbutyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-(4-chlorophenyl)-3-(3-hydroxy-3-methylbutyl)-5,6-dimethylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(4-chlorophenyl)-3-(3-hydroxy-3-methyl-butyl)-5,6-dimethyl-p-benzoquinone Formula: C19H21ClO3 MolecularWeight: 332.82124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)CCC(C)(C)O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)CCC(C)(C)O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C19H21ClO3/c1-11-12(2)18(22)16(13-5-7-14(20)8-6-13)15(17(11)21)9-10-19(3,4)23/h5-8,23H,9-10H2,1-4H3