disodium 3-methyl-5-[3-methyl-4-[[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]-2-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]benzenesulfonate

Systemtic Name: disodium 3-methyl-5-[3-methyl-4-[[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]-2-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]benzenesulfonate Openeye Name: disodium 3-methyl-5-[3-methyl-4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]phenyl]-2-[4-(p-tolylsulfonyloxy)phenyl]azo-benzenesulfonate CAS Name: disodium 3-methyl-5-[3-methyl-4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]phenyl]-2-[4-(4-methylphenyl)sulfonyloxyphenyl]azobenzenesulfonate IUPAC Name: disodium 3-methyl-5-[3-methyl-4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]-2-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]benzenesulfonate Traditional Name: disodium 5-[4-[[5-keto-3-methyl-1-(4-sulfonatophenyl)-2-pyrazolin-4-yl]azo]-3-methyl-phenyl]-3-methyl-2-(4-tosyloxyphenyl)azo-besylate Formula: C37H30N6Na2O10S3 MolecularWeight: 860.84284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3S(=O)(=O)[O-])C4=CC(=C(C=C4)N=NC5C(=NN(C5=O)C6=CC=C(C=C6)S(=O)(=O)[O-])C)C)C.[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3S(=O)(=O)[O-])C4=CC(=C(C=C4)N=NC5C(=NN(C5=O)C6=CC=C(C=C6)S(=O)(=O)[O-])C)C)C.[Na+].[Na+]

InChI

InChI=1S/C37H32N6O10S3.2Na/c1-22-5-14-32(15-6-22)56(51,52)53-30-12-8-28(9-13-30)38-40-35-24(3)20-27(21-34(35)55(48,49)50)26-7-18-33(23(2)19-26)39-41-36-25(4)42-43(37(36)44)29-10-16-31(17-11-29)54(45,46)47;;/h5-21,36H,1-4H3,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2