4-(2-carboxyethyl)-4-(4-chlorophenyl)carbonyl-heptanedioic acid

Systemtic Name: 4-(2-carboxyethyl)-4-(4-chlorophenyl)carbonyl-heptanedioic acid Openeye Name: 4-(2-carboxyethyl)-4-(4-chlorobenzoyl)heptanedioic acid CAS Name: 4-(2-carboxyethyl)-4-[(4-chlorophenyl)-oxomethyl]heptanedioic acid IUPAC Name: 4-(2-carboxyethyl)-4-(4-chlorobenzoyl)heptanedioic acid Traditional Name: 4-(2-carboxyethyl)-4-(4-chlorobenzoyl)pimelic acid Formula: C17H19ClO7 MolecularWeight: 370.78156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(CCC(=O)O)(CCC(=O)O)CCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)C(CCC(=O)O)(CCC(=O)O)CCC(=O)O)Cl

InChI

InChI=1S/C17H19ClO7/c18-12-3-1-11(2-4-12)16(25)17(8-5-13(19)20,9-6-14(21)22)10-7-15(23)24/h1-4H,5-10H2,(H,19,20)(H,21,22)(H,23,24)