1-[5-[[3,6-bis(chloranyl)pyridazin-4-yl]carbonylamino]-2-methyl-3-sulfo-phenyl]-5-oxidanylidene-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid

Systemtic Name: 1-[5-[[3,6-bis(chloranyl)pyridazin-4-yl]carbonylamino]-2-methyl-3-sulfo-phenyl]-5-oxidanylidene-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid Openeye Name: 1-[5-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methyl-3-sulfo-phenyl]-5-oxo-4-(2-sulfophenyl)azo-4H-pyrazole-3-carboxylic acid CAS Name: 1-[5-[[(3,6-dichloro-4-pyridazinyl)-oxomethyl]amino]-2-methyl-3-sulfophenyl]-5-oxo-4-(2-sulfophenyl)azo-4H-pyrazole-3-carboxylic acid IUPAC Name: 1-[5-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methyl-3-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid Traditional Name: 1-[5-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methyl-3-sulfo-phenyl]-5-keto-4-(2-sulfophenyl)azo-2-pyrazoline-3-carboxylic acid Formula: C22H15Cl2N7O10S2 MolecularWeight: 672.4314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N2C(=O)C(C(=N2)C(=O)O)N=NC3=CC=CC=C3S(=O)(=O)O)NC(=O)C4=CC(=NN=C4Cl)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1N2C(=O)C(C(=N2)C(=O)O)N=NC3=CC=CC=C3S(=O)(=O)O)NC(=O)C4=CC(=NN=C4Cl)Cl)S(=O)(=O)O

InChI

InChI=1S/C22H15Cl2N7O10S2/c1-9-13(6-10(7-15(9)43(39,40)41)25-20(32)11-8-16(23)27-29-19(11)24)31-21(33)17(18(30-31)22(34)35)28-26-12-4-2-3-5-14(12)42(36,37)38/h2-8,17H,1H3,(H,25,32)(H,34,35)(H,36,37,38)(H,39,40,41)