4-[(4-carboxy-3-methoxycarbonyl-phenyl)-oxidanyl-methyl]-2-methoxycarbonyl-benzoic acid

Systemtic Name: 4-[(4-carboxy-3-methoxycarbonyl-phenyl)-oxidanyl-methyl]-2-methoxycarbonyl-benzoic acid Openeye Name: 4-[(4-carboxy-3-methoxycarbonyl-phenyl)-hydroxy-methyl]-2-methoxycarbonyl-benzoic acid CAS Name: 4-[(4-carboxy-3-methoxycarbonylphenyl)-hydroxymethyl]-2-methoxycarbonylbenzoic acid IUPAC Name: 4-[(4-carboxy-3-methoxycarbonylphenyl)-hydroxymethyl]-2-methoxycarbonylbenzoic acid Traditional Name: 2-carbomethoxy-4-[(3-carbomethoxy-4-carboxy-phenyl)-hydroxy-methyl]benzoic acid Formula: C19H16O9 MolecularWeight: 388.32494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C(C2=CC(=C(C=C2)C(=O)O)C(=O)OC)O)C(=O)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C(C2=CC(=C(C=C2)C(=O)O)C(=O)OC)O)C(=O)O

InChI

InChI=1S/C19H16O9/c1-27-18(25)13-7-9(3-5-11(13)16(21)22)15(20)10-4-6-12(17(23)24)14(8-10)19(26)28-2/h3-8,15,20H,1-2H3,(H,21,22)(H,23,24)