disodium; chromium(3+); 2-[[3-methyl-1-(2-methyl-4-sulfonato-phenyl)-5-oxidanidyl-pyrazol-4-yl]diazenyl]-4-sulfonato-benzoate; hydroxide

Systemtic Name: disodium; chromium(3+); 2-[[3-methyl-1-(2-methyl-4-sulfonato-phenyl)-5-oxidanidyl-pyrazol-4-yl]diazenyl]-4-sulfonato-benzoate; hydroxide Openeye Name: chromic disodium 2-[3-methyl-1-(2-methyl-4-sulfonato-phenyl)-5-oxido-pyrazol-4-yl]azo-4-sulfonato-benzoate hydroxide CAS Name: disodium; chromium(3+); 2-[[3-methyl-1-(2-methyl-4-sulfonatophenyl)-5-oxido-4-pyrazolyl]azo]-4-sulfonatobenzoate; hydroxide IUPAC Name: disodium; chromium(3+); 2-[[3-methyl-1-(2-methyl-4-sulfonatophenyl)-5-oxidopyrazol-4-yl]diazenyl]-4-sulfonatobenzoate; hydroxide Traditional Name: chromic disodium 2-[3-methyl-1-(2-methyl-4-sulfonato-phenyl)-5-oxido-pyrazol-4-yl]azo-4-sulfonato-benzoate hydroxide Formula: C18H13CrN4Na2O10S2 MolecularWeight: 607.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)[O-])N2C(=C(C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])C(=O)[O-])[O-].[OH-].[Na+].[Na+].[Cr+3]

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[O-])N2C(=C(C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])C(=O)[O-])[O-].[OH-].[Na+].[Na+].[Cr+3]

InChI

InChI=1S/C18H16N4O9S2.Cr.2Na.H2O/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25;;;;/h3-8,23H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31);;;;1H2/q;+3;2*+1;/p-5