2-[[1-[2,5-bis(chloranyl)-4-sulfo-phenyl]-3-methyl-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 2-[[1-[2,5-bis(chloranyl)-4-sulfo-phenyl]-3-methyl-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 2-[1-(2,5-dichloro-4-sulfo-phenyl)-3-methyl-pyrazol-4-yl]azonaphthalene-1-sulfonic acid CAS Name: 2-[[1-(2,5-dichloro-4-sulfophenyl)-3-methyl-4-pyrazolyl]azo]-1-naphthalenesulfonic acid IUPAC Name: 2-[[1-(2,5-dichloro-4-sulfophenyl)-3-methylpyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 2-[1-(2,5-dichloro-4-sulfo-phenyl)-3-methyl-pyrazol-4-yl]azonaphthalene-1-sulfonic acid Formula: C20H14Cl2N4O6S2 MolecularWeight: 541.38436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)O)C4=CC(=C(C=C4Cl)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=NN(C=C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)O)C4=CC(=C(C=C4Cl)S(=O)(=O)O)Cl

InChI

InChI=1S/C20H14Cl2N4O6S2/c1-11-17(10-26(25-11)18-8-15(22)19(9-14(18)21)33(27,28)29)24-23-16-7-6-12-4-2-3-5-13(12)20(16)34(30,31)32/h2-10H,1H3,(H,27,28,29)(H,30,31,32)