(E)-7-[3-(4-chlorophenyl)carbonyl-2-methyl-phenyl]hept-6-enoic acid

Systemtic Name: (E)-7-[3-(4-chlorophenyl)carbonyl-2-methyl-phenyl]hept-6-enoic acid Openeye Name: (E)-7-[3-(4-chlorobenzoyl)-2-methyl-phenyl]hept-6-enoic acid CAS Name: (E)-7-[3-[(4-chlorophenyl)-oxomethyl]-2-methylphenyl]-6-heptenoic acid IUPAC Name: (E)-7-[3-(4-chlorobenzoyl)-2-methylphenyl]hept-6-enoic acid Traditional Name: (E)-7-[3-(4-chlorobenzoyl)-2-methyl-phenyl]hept-6-enoic acid Formula: C21H21ClO3 MolecularWeight: 356.84264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)C2=CC=C(C=C2)Cl)C=CCCCCC(=O)O

Isomeric SMILES

CC1=C(C=CC=C1C(=O)C2=CC=C(C=C2)Cl)/C=C/CCCCC(=O)O

InChI

InChI=1S/C21H21ClO3/c1-15-16(7-4-2-3-5-10-20(23)24)8-6-9-19(15)21(25)17-11-13-18(22)14-12-17/h4,6-9,11-14H,2-3,5,10H2,1H3,(H,23,24)/b7-4+