tetrasodium; chromium(3+); hydron; 5-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]-4-oxidanidyl-benzene-1,3-disulfonate

Systemtic Name: tetrasodium; chromium(3+); hydron; 5-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]-4-oxidanidyl-benzene-1,3-disulfonate Openeye Name: chromic; tetrasodium; hydron; 5-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azo-4-oxido-benzene-1,3-disulfonate CAS Name: tetrasodium; chromium(3+); hydron; 5-[(3-methyl-5-oxido-1-phenyl-4-pyrazolyl)azo]-4-oxidobenzene-1,3-disulfonate IUPAC Name: tetrasodium; chromium(3+); hydron; 5-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-4-oxidobenzene-1,3-disulfonate Traditional Name: chromic; tetrasodium; hydron; 5-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azo-4-oxido-benzene-1,3-disulfonate Formula: C32H21CrN8Na4O16S4 MolecularWeight: 1045.76832

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC1=NN(C(=C1N=NC2=CC(=CC(=C2[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC(=CC(=C2[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])C3=CC=CC=C3.[Na+].[Na+].[Na+].[Na+].[Cr+3]

Isomeric SMILES

[H+].CC1=NN(C(=C1N=NC2=CC(=CC(=C2[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC(=CC(=C2[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])C3=CC=CC=C3.[Na+].[Na+].[Na+].[Na+].[Cr+3]

InChI

InChI=1S/2C16H14N4O8S2.Cr.4Na/c2*1-9-14(16(22)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(29(23,24)25)8-13(15(12)21)30(26,27)28;;;;;/h2*2-8,21-22H,1H3,(H,23,24,25)(H,26,27,28);;;;;/q;;+3;4*+1/p-7