6-[[3,5-bis(methoxycarbonyl)phenyl]carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 6-[[3,5-bis(methoxycarbonyl)phenyl]carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 6-[[3,5-bis(methoxycarbonyl)phenyl]carbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 6-[[[3,5-bis(methoxycarbonyl)anilino]-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 6-[[3,5-bis(methoxycarbonyl)phenyl]carbamoylamino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 6-[(3,5-dicarbomethoxyphenyl)carbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C21H18N2O9S MolecularWeight: 474.44062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O)C(=O)OC

InChI

InChI=1S/C21H18N2O9S/c1-31-19(25)12-5-13(20(26)32-2)7-15(6-12)23-21(27)22-14-4-3-11-8-16(33(28,29)30)10-18(24)17(11)9-14/h3-10,24H,1-2H3,(H2,22,23,27)(H,28,29,30)