1,2-bis(2-methylphenyl)guanidine; 4-[4-[[4-[(4-methoxyphenyl)-[3-methyl-4-[[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]methyl]-2-methyl-phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 1,2-bis(2-methylphenyl)guanidine; 4-[4-[[4-[(4-methoxyphenyl)-[3-methyl-4-[[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]methyl]-2-methyl-phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 1,2-bis(o-tolyl)guanidine; 4-[4-[4-[(4-methoxyphenyl)-[3-methyl-4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azo]phenyl]methyl]-2-methyl-phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 1,2-bis(2-methylphenyl)guanidine; 4-[4-[4-[(4-methoxyphenyl)-[3-methyl-4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azo]phenyl]methyl]-2-methylphenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 1,2-bis(2-methylphenyl)guanidine; 4-[4-[[4-[(4-methoxyphenyl)-[3-methyl-4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]methyl]-2-methylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 1,2-bis(o-tolyl)guanidine; 4-[5-keto-4-[4-[[4-[[5-keto-3-methyl-1-(4-sulfophenyl)-2-pyrazolin-4-yl]azo]-3-methyl-phenyl]-(4-methoxyphenyl)methyl]-2-methyl-phenyl]azo-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C72H72N14O9S2 MolecularWeight: 1341.56048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.CC1=C(C=CC(=C1)C(C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)O)C)C)N=NC6C(=NN(C6=O)C7=CC=C(C=C7)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.CC1=C(C=CC(=C1)C(C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)O)C)C)N=NC6C(=NN(C6=O)C7=CC=C(C=C7)S(=O)(=O)O)C

InChI

InChI=1S/C42H38N8O9S2.2C15H17N3/c1-24-22-29(8-20-36(24)43-45-39-26(3)47-49(41(39)51)31-10-16-34(17-11-31)60(53,54)55)38(28-6-14-33(59-5)15-7-28)30-9-21-37(25(2)23-30)44-46-40-27(4)48-50(42(40)52)32-12-18-35(19-13-32)61(56,57)58;2*1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h6-23,38-40H,1-5H3,(H,53,54,55)(H,56,57,58);2*3-10H,1-2H3,(H3,16,17,18)