sodium (8E)-7-azanyl-8-[(2-carboxy-4-nitro-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: sodium (8E)-7-azanyl-8-[(2-carboxy-4-nitro-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: sodium (8E)-7-amino-8-[(2-carboxy-4-nitro-phenyl)hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: sodium (8E)-7-amino-8-[(2-carboxy-4-nitrophenyl)hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: sodium (8E)-7-amino-8-[(2-carboxy-4-nitrophenyl)hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: sodium (8E)-7-amino-8-[(2-carboxy-4-nitro-phenyl)hydrazono]-4-keto-naphthalene-2-sulfonate Formula: C17H11N4NaO8S MolecularWeight: 454.34601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)NN=C2C(=CC=C3C2=CC(=CC3=O)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)N/N=C\2/C(=CC=C3C2=CC(=CC3=O)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C17H12N4O8S.Na/c18-13-3-2-10-11(6-9(7-15(10)22)30(27,28)29)16(13)20-19-14-4-1-8(21(25)26)5-12(14)17(23)24;/h1-7,19H,18H2,(H,23,24)(H,27,28,29);/q;+1/p-1/b20-16+;