4-[3-(carboxymethyl)-4-oxidanyl-phenyl]carbonylbenzoic acid

Systemtic Name: 4-[3-(carboxymethyl)-4-oxidanyl-phenyl]carbonylbenzoic acid Openeye Name: 4-[3-(carboxymethyl)-4-hydroxy-benzoyl]benzoic acid CAS Name: 4-[[3-(carboxymethyl)-4-hydroxyphenyl]-oxomethyl]benzoic acid IUPAC Name: 4-[3-(carboxymethyl)-4-hydroxybenzoyl]benzoic acid Traditional Name: 4-[3-(carboxymethyl)-4-hydroxy-benzoyl]benzoic acid Formula: C16H12O6 MolecularWeight: 300.26288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=CC(=C(C=C2)O)CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=CC(=C(C=C2)O)CC(=O)O)C(=O)O

InChI

InChI=1S/C16H12O6/c17-13-6-5-11(7-12(13)8-14(18)19)15(20)9-1-3-10(4-2-9)16(21)22/h1-7,17H,8H2,(H,18,19)(H,21,22)