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

Systemtic Name: [6-[4-(4-chlorophenyl)phenyl]carbonyl-3-methyl-cyclohex-3-en-1-yl] hydrogen carbonate Openeye Name: [6-[4-(4-chlorophenyl)benzoyl]-3-methyl-cyclohex-3-en-1-yl] hydrogen carbonate CAS Name: carbonic acid [6-[[4-(4-chlorophenyl)phenyl]-oxomethyl]-3-methyl-1-cyclohex-3-enyl] ester IUPAC Name: [6-[4-(4-chlorophenyl)benzoyl]-3-methylcyclohex-3-en-1-yl] hydrogen carbonate Traditional Name: carbonic acid [6-[4-(4-chlorophenyl)benzoyl]-3-methyl-cyclohex-3-en-1-yl] ester Formula: C21H19ClO4 MolecularWeight: 370.82616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClO4/c1-13-2-11-18(19(12-13)26-21(24)25)20(23)16-5-3-14(4-6-16)15-7-9-17(22)10-8-15/h2-10,18-19H,11-12H2,1H3,(H,24,25)