disodium 2-[[1-(2-chloranyl-5-sulfonato-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate

Systemtic Name: disodium 2-[[1-(2-chloranyl-5-sulfonato-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate Openeye Name: disodium 2-[[1-(2-chloro-5-sulfonato-phenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]naphthalene-1-sulfonate CAS Name: disodium 2-[[1-(2-chloro-5-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-1-naphthalenesulfonate IUPAC Name: disodium 2-[[1-(2-chloro-5-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate Traditional Name: disodium 2-[[1-(2-chloro-5-sulfonato-phenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]naphthalene-1-sulfonate Formula: C20H13ClN4Na2O7S2 MolecularWeight: 566.90236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN4O7S2.2Na/c1-11-18(20(26)25(24-11)17-10-13(33(27,28)29)7-8-15(17)21)23-22-16-9-6-12-4-2-3-5-14(12)19(16)34(30,31)32;;/h2-10,18H,1H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2