disodium (6Z)-4-acetamido-6-[[4-[2-[[1-[(2-chloranyl-5-methyl-phenyl)amino]-3-(2-methylphenyl)-1,3-bis(oxidanylidene)propan-2-yl]oxycarbonyl-methyl-amino]ethoxy]phenyl]hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (6Z)-4-acetamido-6-[[4-[2-[[1-[(2-chloranyl-5-methyl-phenyl)amino]-3-(2-methylphenyl)-1,3-bis(oxidanylidene)propan-2-yl]oxycarbonyl-methyl-amino]ethoxy]phenyl]hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (6Z)-4-acetamido-6-[[4-[2-[[1-[(2-chloro-5-methyl-phenyl)carbamoyl]-2-(o-tolyl)-2-oxo-ethoxy]carbonyl-methyl-amino]ethoxy]phenyl]hydrazono]-7-oxidoperoxysulfanyl-5-oxo-naphthalene-2-sulfonate CAS Name: disodium (6Z)-4-acetamido-6-[[4-[2-[[[1-(2-chloro-5-methylanilino)-3-(2-methylphenyl)-1,3-dioxopropan-2-yl]oxy-oxomethyl]-methylamino]ethoxy]phenyl]hydrazinylidene]-7-(oxidodioxythio)-5-oxo-2-naphthalenesulfonate IUPAC Name: disodium (6Z)-4-acetamido-6-[[4-[2-[[1-(2-chloro-5-methylanilino)-3-(2-methylphenyl)-1,3-dioxopropan-2-yl]oxycarbonyl-methylamino]ethoxy]phenyl]hydrazinylidene]-7-oxidoperoxysulfanyl-5-oxonaphthalene-2-sulfonate Traditional Name: disodium (6Z)-4-acetamido-6-[[4-[2-[[1-[(2-chloro-5-methyl-phenyl)carbamoyl]-2-keto-2-(o-tolyl)ethoxy]carbonyl-methyl-amino]ethoxy]phenyl]hydrazono]-5-keto-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C39H34ClN5Na2O13S2 MolecularWeight: 926.2755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C2=CC=CC=C2C)OC(=O)N(C)CCOC3=CC=C(C=C3)NN=C4C(=CC5=CC(=CC(=C5C4=O)NC(=O)C)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C2=CC=CC=C2C)OC(=O)N(C)CCOC3=CC=C(C=C3)N/N=C/4\C(=CC5=CC(=CC(=C5C4=O)NC(=O)C)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C39H36ClN5O13S2.2Na/c1-21-9-14-29(40)30(17-21)42-38(49)37(35(47)28-8-6-5-7-22(28)2)56-39(50)45(4)15-16-55-26-12-10-25(11-13-26)43-44-34-32(59-58-57-51)19-24-18-27(60(52,53)54)20-31(41-23(3)46)33(24)36(34)48;;/h5-14,17-20,37,43,51H,15-16H2,1-4H3,(H,41,46)(H,42,49)(H,52,53,54);;/q;2*+1/p-2/b44-34+;;