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

Systemtic Name: sodium; chromium(3+); 2-[[3-methyl-1-(3-methyl-5-sulfonato-phenyl)-5-oxidanidyl-pyrazol-4-yl]diazenyl]-4-sulfonato-benzoate Openeye Name: chromic sodium 2-[3-methyl-1-(3-methyl-5-sulfonato-phenyl)-5-oxido-pyrazol-4-yl]azo-4-sulfonato-benzoate CAS Name: sodium; chromium(3+); 2-[[3-methyl-1-(3-methyl-5-sulfonatophenyl)-5-oxido-4-pyrazolyl]azo]-4-sulfonatobenzoate IUPAC Name: sodium; chromium(3+); 2-[[3-methyl-1-(3-methyl-5-sulfonatophenyl)-5-oxidopyrazol-4-yl]diazenyl]-4-sulfonatobenzoate Traditional Name: chromic sodium 2-[3-methyl-1-(3-methyl-5-sulfonato-phenyl)-5-oxido-pyrazol-4-yl]azo-4-sulfonato-benzoate Formula: C18H12CrN4NaO9S2 MolecularWeight: 567.42515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=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-].[Na+].[Cr+3]

Isomeric SMILES

CC1=CC(=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-].[Na+].[Cr+3]

InChI

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