disodium 4-chloranyl-3-[4-[[4-[1-[4-[[1-(2-chloranyl-5-sulfonato-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate

Systemtic Name: disodium 4-chloranyl-3-[4-[[4-[1-[4-[[1-(2-chloranyl-5-sulfonato-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: disodium 4-chloro-3-[4-[4-[1-[4-[[1-(2-chloro-5-sulfonato-phenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]phenyl]cyclohexyl]phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: disodium 4-chloro-3-[4-[4-[1-[4-[[1-(2-chloro-5-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]phenyl]cyclohexyl]phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: disodium 4-chloro-3-[4-[[4-[1-[4-[[1-(2-chloro-5-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: disodium 4-chloro-3-[4-[4-[1-[4-[[1-(2-chloro-5-sulfonato-phenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]phenyl]cyclohexyl]phenyl]azo-5-keto-3-methyl-2-pyrazolin-1-yl]besylate Formula: C38H32Cl2N8Na2O8S2 MolecularWeight: 909.72502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C3(CCCCC3)C4=CC=C(C=C4)N=NC5C(=NN(C5=O)C6=C(C=CC(=C6)S(=O)(=O)[O-])Cl)C)C7=C(C=CC(=C7)S(=O)(=O)[O-])Cl.[Na+].[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C3(CCCCC3)C4=CC=C(C=C4)N=NC5C(=NN(C5=O)C6=C(C=CC(=C6)S(=O)(=O)[O-])Cl)C)C7=C(C=CC(=C7)S(=O)(=O)[O-])Cl.[Na+].[Na+]

InChI

InChI=1S/C38H34Cl2N8O8S2.2Na/c1-22-34(36(49)47(45-22)32-20-28(57(51,52)53)14-16-30(32)39)43-41-26-10-6-24(7-11-26)38(18-4-3-5-19-38)25-8-12-27(13-9-25)42-44-35-23(2)46-48(37(35)50)33-21-29(58(54,55)56)15-17-31(33)40;;/h6-17,20-21,34-35H,3-5,18-19H2,1-2H3,(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2