5-[[1-[(2,4-dimethylphenyl)amino]-1,3-bis(oxidanylidene)butan-2-yl]diazenyl]-2-[4-[[1-[(2,4-dimethylphenyl)amino]-1,3-bis(oxidanylidene)butan-2-yl]diazenyl]-2-sulfo-phenyl]benzenesulfonic acid

Systemtic Name: 5-[[1-[(2,4-dimethylphenyl)amino]-1,3-bis(oxidanylidene)butan-2-yl]diazenyl]-2-[4-[[1-[(2,4-dimethylphenyl)amino]-1,3-bis(oxidanylidene)butan-2-yl]diazenyl]-2-sulfo-phenyl]benzenesulfonic acid Openeye Name: 5-[1-[(2,4-dimethylphenyl)carbamoyl]-2-oxo-propyl]azo-2-[4-[1-[(2,4-dimethylphenyl)carbamoyl]-2-oxo-propyl]azo-2-sulfo-phenyl]benzenesulfonic acid CAS Name: 5-[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]azo-2-[4-[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]azo-2-sulfophenyl]benzenesulfonic acid IUPAC Name: 5-[[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]-2-[4-[[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]-2-sulfophenyl]benzenesulfonic acid Traditional Name: 5-[1-[(2,4-dimethylphenyl)carbamoyl]-2-keto-propyl]azo-2-[4-[1-[(2,4-dimethylphenyl)carbamoyl]-2-keto-propyl]azo-2-sulfo-phenyl]besylic acid Formula: C36H36N6O10S2 MolecularWeight: 776.83524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C(=O)C)N=NC2=CC(=C(C=C2)C3=C(C=C(C=C3)N=NC(C(=O)C)C(=O)NC4=C(C=C(C=C4)C)C)S(=O)(=O)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C(=O)C)N=NC2=CC(=C(C=C2)C3=C(C=C(C=C3)N=NC(C(=O)C)C(=O)NC4=C(C=C(C=C4)C)C)S(=O)(=O)O)S(=O)(=O)O)C

InChI

InChI=1S/C36H36N6O10S2/c1-19-7-13-29(21(3)15-19)37-35(45)33(23(5)43)41-39-25-9-11-27(31(17-25)53(47,48)49)28-12-10-26(18-32(28)54(50,51)52)40-42-34(24(6)44)36(46)38-30-14-8-20(2)16-22(30)4/h7-18,33-34H,1-6H3,(H,37,45)(H,38,46)(H,47,48,49)(H,50,51,52)