methyl 3-chloranyl-2,2-dimethyl-4,6-bis(oxidanylidene)-5-(phenylcarbonyl)cyclohexane-1-carboxylate

Systemtic Name: methyl 3-chloranyl-2,2-dimethyl-4,6-bis(oxidanylidene)-5-(phenylcarbonyl)cyclohexane-1-carboxylate Openeye Name: methyl 5-benzoyl-3-chloro-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylate CAS Name: 5-benzoyl-3-chloro-2,2-dimethyl-4,6-dioxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-benzoyl-3-chloro-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate Traditional Name: 5-benzoyl-3-chloro-4,6-diketo-2,2-dimethyl-cyclohexanecarboxylic acid methyl ester Formula: C17H17ClO5 MolecularWeight: 336.76688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)C(C(=O)C1Cl)C(=O)C2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CC1(C(C(=O)C(C(=O)C1Cl)C(=O)C2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C17H17ClO5/c1-17(2)11(16(22)23-3)13(20)10(14(21)15(17)18)12(19)9-7-5-4-6-8-9/h4-8,10-11,15H,1-3H3