2,5-bis(chloranyl)-4-[[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid; 1,2-diphenylguanidine

Systemtic Name: 2,5-bis(chloranyl)-4-[[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid; 1,2-diphenylguanidine Openeye Name: 2,5-dichloro-4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azo]benzenesulfonic acid; 1,2-diphenylguanidine CAS Name: 2,5-dichloro-4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azo]benzenesulfonic acid; 1,2-diphenylguanidine IUPAC Name: 2,5-dichloro-4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid; 1,2-diphenylguanidine Traditional Name: 2,5-dichloro-4-[[5-keto-3-methyl-1-(4-sulfophenyl)-2-pyrazolin-4-yl]azo]besylic acid; 1,2-diphenylguanidine Formula: C42H38Cl2N10O7S2 MolecularWeight: 929.84992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl)C3=CC=C(C=C3)S(=O)(=O)O.C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N.C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl)C3=CC=C(C=C3)S(=O)(=O)O.C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N.C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N

InChI

InChI=1S/C16H12Cl2N4O7S2.2C13H13N3/c1-8-15(20-19-13-6-12(18)14(7-11(13)17)31(27,28)29)16(23)22(21-8)9-2-4-10(5-3-9)30(24,25)26;2*14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29);2*1-10H,(H3,14,15,16)