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

Systemtic Name: trisodium; chromium(3+); 4-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]-3-oxidanidyl-naphthalene-1-sulfonate Openeye Name: chromic trisodium 4-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azo-3-oxido-naphthalene-1-sulfonate CAS Name: trisodium; chromium(3+); 4-[(3-methyl-5-oxido-1-phenyl-4-pyrazolyl)azo]-3-oxido-1-naphthalenesulfonate IUPAC Name: trisodium; chromium(3+); 4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate Traditional Name: chromic trisodium 4-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azo-3-oxido-naphthalene-1-sulfonate Formula: C40H26CrN8Na3O10S2 MolecularWeight: 963.77745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC=CC=C4.CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC=CC=C4.[Na+].[Na+].[Na+].[Cr+3]

Isomeric SMILES

CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC=CC=C4.CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC=CC=C4.[Na+].[Na+].[Na+].[Cr+3]

InChI

InChI=1S/2C20H16N4O5S.Cr.3Na/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*2-11,25-26H,1H3,(H,27,28,29);;;;/q;;+3;3*+1/p-6