5-[(4-azanyl-2-sulfo-phenyl)carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 5-[(4-azanyl-2-sulfo-phenyl)carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 5-[(4-amino-2-sulfo-benzoyl)amino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 5-[[(4-amino-2-sulfophenyl)-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 5-[(4-amino-2-sulfobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 5-[(4-amino-2-sulfo-benzoyl)amino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C17H14N2O8S2 MolecularWeight: 438.43166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC(=C2C(=C1)NC(=O)C3=C(C=C(C=C3)N)S(=O)(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=CC(=CC(=C2C(=C1)NC(=O)C3=C(C=C(C=C3)N)S(=O)(=O)O)O)S(=O)(=O)O

InChI

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