2-methoxycarbonyl-4-[1-(4-methoxycarbonyl-3-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 2-methoxycarbonyl-4-[1-(4-methoxycarbonyl-3-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-hydroxy-1-(3-hydroxy-4-methoxycarbonyl-phenyl)-2-oxo-ethyl]-2-methoxycarbonyl-benzoic acid CAS Name: 4-[2-hydroxy-1-(3-hydroxy-4-methoxycarbonylphenyl)-2-oxoethyl]-2-methoxycarbonylbenzoic acid IUPAC Name: 4-[2-hydroxy-1-(3-hydroxy-4-methoxycarbonylphenyl)-2-oxoethyl]-2-methoxycarbonylbenzoic acid Traditional Name: 2-carbomethoxy-4-[1-(4-carbomethoxy-3-hydroxy-phenyl)-2-hydroxy-2-keto-ethyl]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)O)C(=O)OC)C(=O)O)O

Isomeric SMILES

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

InChI

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