3-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]-4-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 3-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]-4-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 3-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]-4-hydroxy-naphthalene-1-sulfonic acid CAS Name: 3-[[3,5-bis(methoxycarbonyl)anilino]-oxomethyl]-4-hydroxy-1-naphthalenesulfonic acid IUPAC Name: 3-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]-4-hydroxynaphthalene-1-sulfonic acid Traditional Name: 3-[(3,5-dicarbomethoxyphenyl)carbamoyl]-4-hydroxy-naphthalene-1-sulfonic acid Formula: C21H17NO9S MolecularWeight: 459.42598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)O)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)O)O)C(=O)OC

InChI

InChI=1S/C21H17NO9S/c1-30-20(25)11-7-12(21(26)31-2)9-13(8-11)22-19(24)16-10-17(32(27,28)29)14-5-3-4-6-15(14)18(16)23/h3-10,23H,1-2H3,(H,22,24)(H,27,28,29)