3-[3-(2-carboxyethyl)-4-methoxy-phenyl]carbonylbenzoic acid

Systemtic Name: 3-[3-(2-carboxyethyl)-4-methoxy-phenyl]carbonylbenzoic acid Openeye Name: 3-[3-(2-carboxyethyl)-4-methoxy-benzoyl]benzoic acid CAS Name: 3-[[3-(2-carboxyethyl)-4-methoxyphenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-4-methoxybenzoyl]benzoic acid Traditional Name: 3-[3-(2-carboxyethyl)-4-methoxy-benzoyl]benzoic acid Formula: C18H16O6 MolecularWeight: 328.31604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O)CCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O)CCC(=O)O

InChI

InChI=1S/C18H16O6/c1-24-15-7-5-13(9-11(15)6-8-16(19)20)17(21)12-3-2-4-14(10-12)18(22)23/h2-5,7,9-10H,6,8H2,1H3,(H,19,20)(H,22,23)