sodium 5-[(4-aminophenyl)carbonylamino]-4-oxidanyl-7-sulfo-naphthalene-2-sulfonate

Systemtic Name: sodium 5-[(4-aminophenyl)carbonylamino]-4-oxidanyl-7-sulfo-naphthalene-2-sulfonate Openeye Name: sodium 5-[(4-aminobenzoyl)amino]-4-hydroxy-7-sulfo-naphthalene-2-sulfonate CAS Name: sodium 5-[[(4-aminophenyl)-oxomethyl]amino]-4-hydroxy-7-sulfo-2-naphthalenesulfonate IUPAC Name: sodium 5-[(4-aminobenzoyl)amino]-4-hydroxy-7-sulfonaphthalene-2-sulfonate Traditional Name: sodium 5-[(4-aminobenzoyl)amino]-4-hydroxy-7-sulfo-naphthalene-2-sulfonate Formula: C17H13N2NaO8S2 MolecularWeight: 460.41349

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C17H14N2O8S2.Na/c18-11-3-1-9(2-4-11)17(21)19-14-7-12(28(22,23)24)5-10-6-13(29(25,26)27)8-15(20)16(10)14;/h1-8,20H,18H2,(H,19,21)(H,22,23,24)(H,25,26,27);/q;+1/p-1