5-[(3-carboxy-4-methoxycarbonyl-phenyl)-oxidanyl-methyl]-2-methoxycarbonyl-benzoic acid

Systemtic Name: 5-[(3-carboxy-4-methoxycarbonyl-phenyl)-oxidanyl-methyl]-2-methoxycarbonyl-benzoic acid Openeye Name: 5-[(3-carboxy-4-methoxycarbonyl-phenyl)-hydroxy-methyl]-2-methoxycarbonyl-benzoic acid CAS Name: 5-[(3-carboxy-4-methoxycarbonylphenyl)-hydroxymethyl]-2-methoxycarbonylbenzoic acid IUPAC Name: 5-[(3-carboxy-4-methoxycarbonylphenyl)-hydroxymethyl]-2-methoxycarbonylbenzoic acid Traditional Name: 2-carbomethoxy-5-[(4-carbomethoxy-3-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=C(C=C1)C(C2=CC(=C(C=C2)C(=O)OC)C(=O)O)O)C(=O)O

Isomeric SMILES

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

InChI

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