6-[[1-(2-chloranyl-5-sulfo-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-2-ethylsulfonyl-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 6-[[1-(2-chloranyl-5-sulfo-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-2-ethylsulfonyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 6-[[1-(2-chloro-5-sulfo-phenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-2-ethylsulfonyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 6-[[1-(2-chloro-5-sulfophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-2-ethylsulfonyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 6-[[1-(2-chloro-5-sulfophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-2-ethylsulfonyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 6-[[1-(2-chloro-5-sulfo-phenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]-2-esyl-1,3-benzothiazole-7-sulfonic acid Formula: C19H16ClN5O9S4 MolecularWeight: 622.07144

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC2=C(S1)C(=C(C=C2)N=NC3C(=NN(C3=O)C4=C(C=CC(=C4)S(=O)(=O)O)Cl)C)S(=O)(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=NC2=C(S1)C(=C(C=C2)N=NC3C(=NN(C3=O)C4=C(C=CC(=C4)S(=O)(=O)O)Cl)C)S(=O)(=O)O

InChI

InChI=1S/C19H16ClN5O9S4/c1-3-36(27,28)19-21-12-6-7-13(17(16(12)35-19)38(32,33)34)22-23-15-9(2)24-25(18(15)26)14-8-10(37(29,30)31)4-5-11(14)20/h4-8,15H,3H2,1-2H3,(H,29,30,31)(H,32,33,34)