(3Z)-5-azanyl-3-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)hydrazinylidene]-7-nitro-4-oxidanylidene-naphthalene-2-sulfonic acid hydrate

Systemtic Name: (3Z)-5-azanyl-3-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)hydrazinylidene]-7-nitro-4-oxidanylidene-naphthalene-2-sulfonic acid hydrate Openeye Name: (3Z)-5-amino-3-[(3-chloro-2-hydroxy-5-nitro-phenyl)hydrazono]-7-nitro-4-oxo-naphthalene-2-sulfonic acid hydrate CAS Name: (3Z)-5-amino-3-[(3-chloro-2-hydroxy-5-nitrophenyl)hydrazinylidene]-7-nitro-4-oxo-2-naphthalenesulfonic acid hydrate IUPAC Name: (3Z)-5-amino-3-[(3-chloro-2-hydroxy-5-nitrophenyl)hydrazinylidene]-7-nitro-4-oxonaphthalene-2-sulfonic acid hydrate Traditional Name: (3Z)-5-amino-3-[(3-chloro-2-hydroxy-5-nitro-phenyl)hydrazono]-4-keto-7-nitro-naphthalene-2-sulfonic acid hydrate Formula: C16H12ClN5O10S MolecularWeight: 501.81198

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C(=NNC3=CC(=CC(=C3O)Cl)[N+](=O)[O-])C(=O)C2=C(C=C1[N+](=O)[O-])N)S(=O)(=O)O.O

Isomeric SMILES

C1=C2C=C(/C(=N\NC3=CC(=CC(=C3O)Cl)[N+](=O)[O-])/C(=O)C2=C(C=C1[N+](=O)[O-])N)S(=O)(=O)O.O

InChI

InChI=1S/C16H10ClN5O9S.H2O/c17-9-3-8(22(27)28)5-11(15(9)23)19-20-14-12(32(29,30)31)2-6-1-7(21(25)26)4-10(18)13(6)16(14)24;/h1-5,19,23H,18H2,(H,29,30,31);1H2/b20-14+;