tetrasodium (6Z)-4-azanyl-7-oxidanidylperoxysulfanyl-6-[[4-[2-(2-oxidanidylperoxysulfanyloxyethylsulfonyl)ethyl-phenyl-carbamoyl]phenyl]hydrazinylidene]-5-oxidanylidene-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate

Systemtic Name: tetrasodium (6Z)-4-azanyl-7-oxidanidylperoxysulfanyl-6-[[4-[2-(2-oxidanidylperoxysulfanyloxyethylsulfonyl)ethyl-phenyl-carbamoyl]phenyl]hydrazinylidene]-5-oxidanylidene-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate Openeye Name: tetrasodium (6Z)-4-amino-7-oxidoperoxysulfanyl-6-[[4-[2-(2-oxidoperoxysulfanyloxyethylsulfonyl)ethyl-phenyl-carbamoyl]phenyl]hydrazono]-5-oxo-3-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-naphthalene-2-sulfonate CAS Name: tetrasodium (6Z)-4-amino-7-(oxidodioxythio)-6-[[4-[[N-[2-[2-(oxidodioxythio)oxyethylsulfonyl]ethyl]anilino]-oxomethyl]phenyl]hydrazinylidene]-5-oxo-3-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-2-naphthalenesulfonate IUPAC Name: tetrasodium (6Z)-4-amino-7-oxidoperoxysulfanyl-6-[[4-[2-(2-oxidoperoxysulfanyloxyethylsulfonyl)ethyl-phenylcarbamoyl]phenyl]hydrazinylidene]-5-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate Traditional Name: tetrasodium (6Z)-4-amino-5-keto-7-(oxidoperoxythio)-6-[[4-[2-[2-(oxidoperoxythio)oxyethylsulfonyl]ethyl-phenyl-carbamoyl]phenyl]hydrazono]-3-[4-(2-sulfatoethylsulfonyl)phenyl]azo-naphthalene-2-sulfonate Formula: C35H30N6Na4O20S6 MolecularWeight: 1138.98998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCS(=O)(=O)CCOSOO[O-])C(=O)C2=CC=C(C=C2)NN=C3C(=CC4=CC(=C(C(=C4C3=O)N)N=NC5=CC=C(C=C5)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N(CCS(=O)(=O)CCOSOO[O-])C(=O)C2=CC=C(C=C2)N/N=C/3\C(=CC4=CC(=C(C(=C4C3=O)N)N=NC5=CC=C(C=C5)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C35H34N6O20S6.4Na/c36-31-30-23(21-29(66(50,51)52)33(31)40-38-25-10-12-27(13-11-25)65(48,49)19-16-57-67(53,54)55)20-28(62-60-58-44)32(34(30)42)39-37-24-8-6-22(7-9-24)35(43)41(26-4-2-1-3-5-26)14-17-64(46,47)18-15-56-63-61-59-45;;;;/h1-13,20-21,37,44-45H,14-19,36H2,(H,50,51,52)(H,53,54,55);;;;/q;4*+1/p-4/b39-32+,40-38?;;;;