disodium 2-[[3-methyl-5-oxidanylidene-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]benzoate

Systemtic Name: disodium 2-[[3-methyl-5-oxidanylidene-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]benzoate Openeye Name: disodium 2-[[3-methyl-5-oxo-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]azo]benzoate CAS Name: disodium 2-[[3-methyl-5-oxo-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]azo]benzoate IUPAC Name: disodium 2-[[3-methyl-5-oxo-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]benzoate Traditional Name: disodium 2-[[5-keto-3-methyl-1-[4-(2-sulfatoethylsulfonyl)phenyl]-2-pyrazolin-4-yl]azo]benzoate Formula: C19H16N4Na2O9S2 MolecularWeight: 554.46128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H18N4O9S2.2Na/c1-12-17(21-20-16-5-3-2-4-15(16)19(25)26)18(24)23(22-12)13-6-8-14(9-7-13)33(27,28)11-10-32-34(29,30)31;;/h2-9,17H,10-11H2,1H3,(H,25,26)(H,29,30,31);;/q;2*+1/p-2