5-[(5-azanyl-1-oxidanyl-naphthalen-2-yl)carbonylamino]benzene-1,3-disulfonic acid

Systemtic Name: 5-[(5-azanyl-1-oxidanyl-naphthalen-2-yl)carbonylamino]benzene-1,3-disulfonic acid Openeye Name: 5-[(5-amino-1-hydroxy-naphthalene-2-carbonyl)amino]benzene-1,3-disulfonic acid CAS Name: 5-[[(5-amino-1-hydroxy-2-naphthalenyl)-oxomethyl]amino]benzene-1,3-disulfonic acid IUPAC Name: 5-[(5-amino-1-hydroxynaphthalene-2-carbonyl)amino]benzene-1,3-disulfonic acid Traditional Name: 5-[(5-amino-1-hydroxy-2-naphthoyl)amino]benzene-1,3-disulfonic acid Formula: C17H14N2O8S2 MolecularWeight: 438.43166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2O)C(=O)NC3=CC(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)C(=C1)N

Isomeric SMILES

C1=CC2=C(C=CC(=C2O)C(=O)NC3=CC(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)C(=C1)N

InChI

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