2-[4-[3-(4-chlorophenyl)carbonyl-2-methyl-phenyl]-1-oxidanyl-1-oxidanylidene-butan-2-yl]benzoic acid

Systemtic Name: 2-[4-[3-(4-chlorophenyl)carbonyl-2-methyl-phenyl]-1-oxidanyl-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 2-[1-carboxy-3-[3-(4-chlorobenzoyl)-2-methyl-phenyl]propyl]benzoic acid CAS Name: 2-[4-[3-[(4-chlorophenyl)-oxomethyl]-2-methylphenyl]-1-hydroxy-1-oxobutan-2-yl]benzoic acid IUPAC Name: 2-[4-[3-(4-chlorobenzoyl)-2-methylphenyl]-1-hydroxy-1-oxobutan-2-yl]benzoic acid Traditional Name: 2-[1-carboxy-3-[3-(4-chlorobenzoyl)-2-methyl-phenyl]propyl]benzoic acid Formula: C25H21ClO5 MolecularWeight: 436.88424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1CCC(C2=CC=CC=C2C(=O)O)C(=O)O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC=C1CCC(C2=CC=CC=C2C(=O)O)C(=O)O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H21ClO5/c1-15-16(5-4-8-19(15)23(27)17-9-12-18(26)13-10-17)11-14-22(25(30)31)20-6-2-3-7-21(20)24(28)29/h2-10,12-13,22H,11,14H2,1H3,(H,28,29)(H,30,31)