disodium (6Z)-4-acetamido-6-[[4-[1-[[5-[[4-[2,4-bis(2-methylbutan-2-yl)phenyl]peroxy-4-oxidanylidene-butanoyl]amino]-2-chloranyl-phenyl]amino]-4,4-dimethyl-1,3-bis(oxidanylidene)pentan-2-yl]oxyphenyl]hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (6Z)-4-acetamido-6-[[4-[1-[[5-[[4-[2,4-bis(2-methylbutan-2-yl)phenyl]peroxy-4-oxidanylidene-butanoyl]amino]-2-chloranyl-phenyl]amino]-4,4-dimethyl-1,3-bis(oxidanylidene)pentan-2-yl]oxyphenyl]hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (6Z)-4-acetamido-6-[[4-[1-[[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenyl]peroxy-4-oxo-butanoyl]amino]-2-chloro-phenyl]carbamoyl]-3,3-dimethyl-2-oxo-butoxy]phenyl]hydrazono]-7-oxidoperoxysulfanyl-5-oxo-naphthalene-2-sulfonate CAS Name: disodium (6Z)-4-acetamido-6-[[4-[1-[5-[[4-[2,4-bis(2-methylbutan-2-yl)phenyl]dioxy-1,4-dioxobutyl]amino]-2-chloroanilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxyphenyl]hydrazinylidene]-7-(oxidodioxythio)-5-oxo-2-naphthalenesulfonate IUPAC Name: disodium (6Z)-4-acetamido-6-[[4-[1-[5-[[4-[2,4-bis(2-methylbutan-2-yl)phenyl]peroxy-4-oxobutanoyl]amino]-2-chloroanilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxyphenyl]hydrazinylidene]-7-oxidoperoxysulfanyl-5-oxonaphthalene-2-sulfonate Traditional Name: disodium (6Z)-4-acetamido-6-[[4-[1-[[2-chloro-5-[[4-(2,4-ditert-amylphenyl)peroxy-4-keto-butanoyl]amino]phenyl]carbamoyl]-2-keto-3,3-dimethyl-butoxy]phenyl]hydrazono]-5-keto-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C51H56ClN5Na2O15S2 MolecularWeight: 1124.57738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OOC(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(=O)C(C)(C)C)OC3=CC=C(C=C3)NN=C4C(=CC5=CC(=CC(=C5C4=O)NC(=O)C)S(=O)(=O)[O-])SOO[O-])C(C)(C)CC.[Na+].[Na+]

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OOC(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(=O)C(C)(C)C)OC3=CC=C(C=C3)N/N=C/4\C(=CC5=CC(=CC(=C5C4=O)NC(=O)C)S(=O)(=O)[O-])SOO[O-])C(C)(C)CC.[Na+].[Na+]

InChI

InChI=1S/C51H58ClN5O15S2.2Na/c1-11-50(7,8)30-13-20-39(35(25-30)51(9,10)12-2)69-70-42(60)22-21-41(59)54-32-16-19-36(52)37(26-32)55-48(63)46(47(62)49(4,5)6)68-33-17-14-31(15-18-33)56-57-44-40(73-72-71-64)24-29-23-34(74(65,66)67)27-38(53-28(3)58)43(29)45(44)61;;/h13-20,23-27,46,56,64H,11-12,21-22H2,1-10H3,(H,53,58)(H,54,59)(H,55,63)(H,65,66,67);;/q;2*+1/p-2/b57-44+;;