4-(2-carboxyethyl)-4-(phenylcarbonyl)heptanedioic acid

Systemtic Name: 4-(2-carboxyethyl)-4-(phenylcarbonyl)heptanedioic acid Openeye Name: 4-benzoyl-4-(2-carboxyethyl)heptanedioic acid CAS Name: 4-benzoyl-4-(2-carboxyethyl)heptanedioic acid IUPAC Name: 4-benzoyl-4-(2-carboxyethyl)heptanedioic acid Traditional Name: 4-benzoyl-4-(2-carboxyethyl)pimelic acid Formula: C17H20O7 MolecularWeight: 336.3365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O7/c18-13(19)6-9-17(10-7-14(20)21,11-8-15(22)23)16(24)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,18,19)(H,20,21)(H,22,23)