3-chloranyl-4-[4-[[4-[[4-[[1-(2-chloranyl-6-methyl-4-sulfo-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]phenyl]-phenyl-methyl]phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]-5-methyl-benzenesulfonic acid

Systemtic Name: 3-chloranyl-4-[4-[[4-[[4-[[1-(2-chloranyl-6-methyl-4-sulfo-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]phenyl]-phenyl-methyl]phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]-5-methyl-benzenesulfonic acid Openeye Name: 3-chloro-4-[4-[4-[[4-[[1-(2-chloro-6-methyl-4-sulfo-phenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]phenyl]-phenyl-methyl]phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]-5-methyl-benzenesulfonic acid CAS Name: 3-chloro-4-[4-[4-[[4-[[1-(2-chloro-6-methyl-4-sulfophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]phenyl]-phenylmethyl]phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]-5-methylbenzenesulfonic acid IUPAC Name: 3-chloro-4-[4-[[4-[[4-[[1-(2-chloro-6-methyl-4-sulfophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]-phenylmethyl]phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-5-methylbenzenesulfonic acid Traditional Name: 3-chloro-4-[4-[4-[[4-[[1-(2-chloro-6-methyl-4-sulfo-phenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]phenyl]-phenyl-methyl]phenyl]azo-5-keto-3-methyl-2-pyrazolin-1-yl]-5-methyl-besylic acid Formula: C41H34Cl2N8O8S2 MolecularWeight: 901.79346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)C(C4=CC=CC=C4)C5=CC=C(C=C5)N=NC6C(=NN(C6=O)C7=C(C=C(C=C7C)S(=O)(=O)O)Cl)C)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)C(C4=CC=CC=C4)C5=CC=C(C=C5)N=NC6C(=NN(C6=O)C7=C(C=C(C=C7C)S(=O)(=O)O)Cl)C)Cl)S(=O)(=O)O

InChI

InChI=1S/C41H34Cl2N8O8S2/c1-22-18-31(60(54,55)56)20-33(42)38(22)50-40(52)36(24(3)48-50)46-44-29-14-10-27(11-15-29)35(26-8-6-5-7-9-26)28-12-16-30(17-13-28)45-47-37-25(4)49-51(41(37)53)39-23(2)19-32(21-34(39)43)61(57,58)59/h5-21,35-37H,1-4H3,(H,54,55,56)(H,57,58,59)