trisodium 1-(5-azanyl-2-methyl-3-sulfonato-phenyl)-5-oxidanylidene-4-[(2-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate

Systemtic Name: trisodium 1-(5-azanyl-2-methyl-3-sulfonato-phenyl)-5-oxidanylidene-4-[(2-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate Openeye Name: trisodium 1-(5-amino-2-methyl-3-sulfonato-phenyl)-5-oxo-4-(2-sulfonatophenyl)azo-4H-pyrazole-3-carboxylate CAS Name: trisodium 1-(5-amino-2-methyl-3-sulfonatophenyl)-5-oxo-4-(2-sulfonatophenyl)azo-4H-pyrazole-3-carboxylate IUPAC Name: trisodium 1-(5-amino-2-methyl-3-sulfonatophenyl)-5-oxo-4-[(2-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate Traditional Name: trisodium 1-(5-amino-2-methyl-3-sulfonato-phenyl)-5-keto-4-(2-sulfonatophenyl)azo-2-pyrazoline-3-carboxylate Formula: C17H12N5Na3O9S2 MolecularWeight: 563.40459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N2C(=O)C(C(=N2)C(=O)[O-])N=NC3=CC=CC=C3S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1N2C(=O)C(C(=N2)C(=O)[O-])N=NC3=CC=CC=C3S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C17H15N5O9S2.3Na/c1-8-11(6-9(18)7-13(8)33(29,30)31)22-16(23)14(15(21-22)17(24)25)20-19-10-4-2-3-5-12(10)32(26,27)28;;;/h2-7,14H,18H2,1H3,(H,24,25)(H,26,27,28)(H,29,30,31);;;/q;3*+1/p-3