4-[4-[[4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]-2,5-bis(chloranyl)benzenesulfonic acid

Systemtic Name: 4-[4-[[4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]-2,5-bis(chloranyl)benzenesulfonic acid Openeye Name: 2,5-dichloro-4-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfo-phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 2,5-dichloro-4-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 2,5-dichloro-4-[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 2,5-dichloro-4-[4-[4-[(4,6-dichloro-s-triazin-2-yl)amino]-2-sulfo-phenyl]azo-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C19H12Cl4N8O7S2 MolecularWeight: 670.28998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)NC3=NC(=NC(=N3)Cl)Cl)S(=O)(=O)O)C4=CC(=C(C=C4Cl)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)NC3=NC(=NC(=N3)Cl)Cl)S(=O)(=O)O)C4=CC(=C(C=C4Cl)S(=O)(=O)O)Cl

InChI

InChI=1S/C19H12Cl4N8O7S2/c1-7-15(16(32)31(30-7)12-5-10(21)13(6-9(12)20)39(33,34)35)29-28-11-3-2-8(4-14(11)40(36,37)38)24-19-26-17(22)25-18(23)27-19/h2-6,15H,1H3,(H,33,34,35)(H,36,37,38)(H,24,25,26,27)