disodium; chromium(3+); (4Z)-7-nitro-3-oxidanylidene-4-[(2-oxidanylnaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonic acid

Systemtic Name: disodium; chromium(3+); (4Z)-7-nitro-3-oxidanylidene-4-[(2-oxidanylnaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonic acid Openeye Name: dichromic disodium (4Z)-4-[(2-hydroxy-1-naphthyl)hydrazono]-7-nitro-3-oxo-naphthalene-1-sulfonic acid CAS Name: disodium; chromium(3+); (4Z)-4-[(2-hydroxy-1-naphthalenyl)hydrazinylidene]-7-nitro-3-oxo-1-naphthalenesulfonic acid IUPAC Name: disodium; chromium(3+); (4Z)-4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid Traditional Name: dichromic disodium (4Z)-4-[(2-hydroxy-1-naphthyl)hydrazono]-3-keto-7-nitro-naphthalene-1-sulfonic acid Formula: C60H39Cr2N9Na2O21S3+8 MolecularWeight: 1468.1661

Click to see the large picture

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.[Na+].[Na+].[Cr+3].[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.[Na+].[Na+].[Cr+3].[Cr+3]

InChI

InChI=1S/3C20H13N3O7S.2Cr.2Na/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;;;2*+3;2*+1/b3*22-20-;;;;