chromium(3+); (4E)-7-nitro-3-oxidanylidene-4-[(2-oxidanylnaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate

Systemtic Name: chromium(3+); (4E)-7-nitro-3-oxidanylidene-4-[(2-oxidanylnaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonate Openeye Name: chromic (4E)-4-[(2-hydroxy-1-naphthyl)hydrazono]-7-nitro-3-oxo-naphthalene-1-sulfonate CAS Name: chromium(3+); (4E)-4-[(2-hydroxy-1-naphthalenyl)hydrazinylidene]-7-nitro-3-oxo-1-naphthalenesulfonate IUPAC Name: chromium(3+); (4E)-4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonate Traditional Name: chromic (4E)-4-[(2-hydroxy-1-naphthyl)hydrazono]-3-keto-7-nitro-naphthalene-1-sulfonate Formula: C60H36CrN9O21S3 MolecularWeight: 1367.16664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2NN=C3C4=C(C=C(C=C4)[N+](=O)[O-])C(=CC3=O)S(=O)(=O)[O-])O.C1=CC=C2C(=C1)C=CC(=C2NN=C3C4=C(C=C(C=C4)[N+](=O)[O-])C(=CC3=O)S(=O)(=O)[O-])O.C1=CC=C2C(=C1)C=CC(=C2NN=C3C4=C(C=C(C=C4)[N+](=O)[O-])C(=CC3=O)S(=O)(=O)[O-])O.[Cr+3]

Isomeric SMILES

C1=CC=C2C(=C(C=CC2=C1)O)N/N=C\3/C(=O)C=C(C4=C3C=CC(=C4)[N+](=O)[O-])S(=O)(=O)[O-].C1=CC=C2C(=C(C=CC2=C1)O)N/N=C\3/C(=O)C=C(C4=C3C=CC(=C4)[N+](=O)[O-])S(=O)(=O)[O-].C1=CC=C2C(=C(C=CC2=C1)O)N/N=C\3/C(=O)C=C(C4=C3C=CC(=C4)[N+](=O)[O-])S(=O)(=O)[O-].[Cr+3]

InChI

InChI=1S/3C20H13N3O7S.Cr/c3*24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;/h3*1-10,21,24H,(H,28,29,30);/q;;;+3/p-3/b3*22-20+;