[6-[4-(4-chlorophenyl)phenyl]carbonyl-3,4-dimethyl-cyclohex-3-en-1-yl] hydrogen carbonate

Systemtic Name: [6-[4-(4-chlorophenyl)phenyl]carbonyl-3,4-dimethyl-cyclohex-3-en-1-yl] hydrogen carbonate Openeye Name: [6-[4-(4-chlorophenyl)benzoyl]-3,4-dimethyl-cyclohex-3-en-1-yl] hydrogen carbonate CAS Name: carbonic acid [6-[[4-(4-chlorophenyl)phenyl]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enyl] ester IUPAC Name: [6-[4-(4-chlorophenyl)benzoyl]-3,4-dimethylcyclohex-3-en-1-yl] hydrogen carbonate Traditional Name: carbonic acid [6-[4-(4-chlorophenyl)benzoyl]-3,4-dimethyl-cyclohex-3-en-1-yl] ester Formula: C22H21ClO4 MolecularWeight: 384.85274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)OC(=O)O)C

Isomeric SMILES

CC1=C(CC(C(C1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)OC(=O)O)C

InChI

InChI=1S/C22H21ClO4/c1-13-11-19(20(12-14(13)2)27-22(25)26)21(24)17-5-3-15(4-6-17)16-7-9-18(23)10-8-16/h3-10,19-20H,11-12H2,1-2H3,(H,25,26)