disodium; chromium(2+); 4-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-3-oxidanidyl-naphthalene-1-sulfonate

Systemtic Name: disodium; chromium(2+); 4-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-3-oxidanidyl-naphthalene-1-sulfonate Openeye Name: chromous disodium 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-3-oxido-naphthalene-1-sulfonate CAS Name: disodium; chromium(2+); 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-3-oxido-1-naphthalenesulfonate IUPAC Name: disodium; chromium(2+); 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate Traditional Name: chromous disodium 4-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)azo]-3-oxido-naphthalene-1-sulfonate Formula: C40H28CrN8Na2O10S2 MolecularWeight: 942.80356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])C4=CC=CC=C4.CC1=NN(C(=O)C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])C4=CC=CC=C4.[Na+].[Na+].[Cr+2]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])C4=CC=CC=C4.CC1=NN(C(=O)C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])C4=CC=CC=C4.[Na+].[Na+].[Cr+2]

InChI

InChI=1S/2C20H16N4O5S.Cr.2Na/c2*1-12-18(20(26)24(23-12)13-7-3-2-4-8-13)21-22-19-15-10-6-5-9-14(15)17(11-16(19)25)30(27,28)29;;;/h2*2-11,18,25H,1H3,(H,27,28,29);;;/q;;+2;2*+1/p-4