2-[(4-chloranyl-6-methoxy-1,3,5-triazin-2-yl)amino]-5-[[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzene-1,4-disulfonic acid

Systemtic Name: 2-[(4-chloranyl-6-methoxy-1,3,5-triazin-2-yl)amino]-5-[[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzene-1,4-disulfonic acid Openeye Name: 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-5-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azo]benzene-1,4-disulfonic acid CAS Name: 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-5-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azo]benzene-1,4-disulfonic acid IUPAC Name: 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-5-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzene-1,4-disulfonic acid Traditional Name: 2-[(4-chloro-6-methoxy-s-triazin-2-yl)amino]-5-[[5-keto-3-methyl-1-(4-sulfophenyl)-2-pyrazolin-4-yl]azo]benzene-1,4-disulfonic acid Formula: C20H17ClN8O11S3 MolecularWeight: 677.04398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2S(=O)(=O)O)NC3=NC(=NC(=N3)Cl)OC)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2S(=O)(=O)O)NC3=NC(=NC(=N3)Cl)OC)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C20H17ClN8O11S3/c1-9-16(17(30)29(28-9)10-3-5-11(6-4-10)41(31,32)33)27-26-13-8-14(42(34,35)36)12(7-15(13)43(37,38)39)22-19-23-18(21)24-20(25-19)40-2/h3-8,16H,1-2H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,22,23,24,25)