trisodium; copper; 4-[[4-[methyl(2-sulfooxyethylsulfonyl)amino]phenyl]amino]-7-oxidanidylperoxysulfanyl-6-[(2E)-2-(4-oxidanidylperoxysulfanyl-2-oxidanylidene-naphthalen-1-ylidene)hydrazinyl]-5-oxidanyl-naphthalene-2-sulfonate

Systemtic Name: trisodium; copper; 4-[[4-[methyl(2-sulfooxyethylsulfonyl)amino]phenyl]amino]-7-oxidanidylperoxysulfanyl-6-[(2E)-2-(4-oxidanidylperoxysulfanyl-2-oxidanylidene-naphthalen-1-ylidene)hydrazinyl]-5-oxidanyl-naphthalene-2-sulfonate Openeye Name: trisodium; copper; 5-hydroxy-4-[4-[methyl(2-sulfooxyethylsulfonyl)amino]anilino]-7-oxidoperoxysulfanyl-6-[(2E)-2-(4-oxidoperoxysulfanyl-2-oxo-1-naphthylidene)hydrazino]naphthalene-2-sulfonate CAS Name: trisodium; copper; 5-hydroxy-4-[4-[methyl(2-sulfooxyethylsulfonyl)amino]anilino]-7-(oxidodioxythio)-6-[(2E)-2-[4-(oxidodioxythio)-2-oxo-1-naphthalenylidene]hydrazinyl]-2-naphthalenesulfonate IUPAC Name: trisodium; copper; 5-hydroxy-4-[4-[methyl(2-sulfooxyethylsulfonyl)amino]anilino]-7-oxidoperoxysulfanyl-6-[(2E)-2-(4-oxidoperoxysulfanyl-2-oxonaphthalen-1-ylidene)hydrazinyl]naphthalene-2-sulfonate Traditional Name: trisodium; copper; 5-hydroxy-6-[(N'E)-N'-[2-keto-4-(oxidoperoxythio)-1-naphthylidene]hydrazino]-4-[4-[methyl(2-sulfoxyethylsulfonyl)amino]anilino]-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C29H23CuN4Na3O17S5 MolecularWeight: 992.34983

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)NC2=CC(=CC3=CC(=C(C(=C32)O)NN=C4C5=CC=CC=C5C(=CC4=O)SOO[O-])SOO[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)O.[Na+].[Na+].[Na+].[Cu]

Isomeric SMILES

CN(C1=CC=C(C=C1)NC2=CC(=CC3=CC(=C(C(=C32)O)N/N=C/4\C5=CC=CC=C5C(=CC4=O)SOO[O-])SOO[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)O.[Na+].[Na+].[Na+].[Cu]

InChI

InChI=1S/C29H26N4O17S5.Cu.3Na/c1-33(53(38,39)11-10-46-55(43,44)45)18-8-6-17(7-9-18)30-22-14-19(54(40,41)42)12-16-13-25(52-50-48-37)28(29(35)26(16)22)32-31-27-21-5-3-2-4-20(21)24(15-23(27)34)51-49-47-36;;;;/h2-9,12-15,30,32,35-37H,10-11H2,1H3,(H,40,41,42)(H,43,44,45);;;;/q;;3*+1/p-3/b31-27+;;;;