trisodium 3-[[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1,5-disulfonate

Systemtic Name: trisodium 3-[[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1,5-disulfonate Openeye Name: trisodium 3-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]naphthalene-1,5-disulfonate CAS Name: trisodium 3-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]naphthalene-1,5-disulfonate IUPAC Name: trisodium 3-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1,5-disulfonate Traditional Name: trisodium 3-[[5-keto-3-methyl-1-(4-sulfonatophenyl)-2-pyrazolin-4-yl]azo]naphthalene-1,5-disulfonate Formula: C20H13N4Na3O10S3 MolecularWeight: 634.50233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C20H16N4O10S3.3Na/c1-11-19(20(25)24(23-11)13-5-7-14(8-6-13)35(26,27)28)22-21-12-9-16-15(18(10-12)37(32,33)34)3-2-4-17(16)36(29,30)31;;;/h2-10,19H,1H3,(H,26,27,28)(H,29,30,31)(H,32,33,34);;;/q;3*+1/p-3