2-(2-chloranyl-4,6-dimethyl-phenyl)-3-oxidanyl-4,6,7,7a-tetrahydro-3aH-indene-1,5-dione

Systemtic Name: 2-(2-chloranyl-4,6-dimethyl-phenyl)-3-oxidanyl-4,6,7,7a-tetrahydro-3aH-indene-1,5-dione Openeye Name: 2-(2-chloro-4,6-dimethyl-phenyl)-3-hydroxy-4,6,7,7a-tetrahydro-3aH-indene-1,5-dione CAS Name: 2-(2-chloro-4,6-dimethylphenyl)-3-hydroxy-4,6,7,7a-tetrahydro-3aH-indene-1,5-dione IUPAC Name: 2-(2-chloro-4,6-dimethylphenyl)-3-hydroxy-4,6,7,7a-tetrahydro-3aH-indene-1,5-dione Traditional Name: 2-(2-chloro-4,6-dimethyl-phenyl)-3-hydroxy-4,6,7,7a-tetrahydro-3aH-indene-1,5-quinone Formula: C17H17ClO3 MolecularWeight: 304.76808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)C2=C(C3CC(=O)CCC3C2=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)C2=C(C3CC(=O)CCC3C2=O)O)C

InChI

InChI=1S/C17H17ClO3/c1-8-5-9(2)14(13(18)6-8)15-16(20)11-4-3-10(19)7-12(11)17(15)21/h5-6,11-12,21H,3-4,7H2,1-2H3