2-[3-(2,4-dichlorophenyl)-3-(2-oxidanylidenecyclohexyl)propanoyl]benzoic acid

Systemtic Name: 2-[3-(2,4-dichlorophenyl)-3-(2-oxidanylidenecyclohexyl)propanoyl]benzoic acid Openeye Name: 2-[3-(2,4-dichlorophenyl)-3-(2-oxocyclohexyl)propanoyl]benzoic acid CAS Name: 2-[3-(2,4-dichlorophenyl)-1-oxo-3-(2-oxocyclohexyl)propyl]benzoic acid IUPAC Name: 2-[3-(2,4-dichlorophenyl)-3-(2-oxocyclohexyl)propanoyl]benzoic acid Traditional Name: 2-[3-(2,4-dichlorophenyl)-3-(2-ketocyclohexyl)propanoyl]benzoic acid Formula: C22H20Cl2O4 MolecularWeight: 419.2978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C(CC(=O)C2=CC=CC=C2C(=O)O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCC(=O)C(C1)C(CC(=O)C2=CC=CC=C2C(=O)O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H20Cl2O4/c23-13-9-10-14(19(24)11-13)18(16-6-3-4-8-20(16)25)12-21(26)15-5-1-2-7-17(15)22(27)28/h1-2,5,7,9-11,16,18H,3-4,6,8,12H2,(H,27,28)