tetrasodium (6Z)-4-azanyl-6-[[2-methoxy-5-methyl-4-(2-oxidanidylperoxysulfanyloxyethylperoxysulfanyl)phenyl]hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-3-[[4-(2-sulfonatooxyethoxysulfinyl)phenyl]diazenyl]naphthalene-2-sulfonate

Systemtic Name: tetrasodium (6Z)-4-azanyl-6-[[2-methoxy-5-methyl-4-(2-oxidanidylperoxysulfanyloxyethylperoxysulfanyl)phenyl]hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-3-[[4-(2-sulfonatooxyethoxysulfinyl)phenyl]diazenyl]naphthalene-2-sulfonate Openeye Name: tetrasodium (6Z)-4-amino-6-[[2-methoxy-5-methyl-4-(2-oxidoperoxysulfanyloxyethylperoxysulfanyl)phenyl]hydrazono]-7-oxidoperoxysulfanyl-5-oxo-3-[4-(2-sulfonatooxyethoxysulfinyl)phenyl]azo-naphthalene-2-sulfonate CAS Name: tetrasodium (6Z)-4-amino-6-[[2-methoxy-5-methyl-4-[2-(oxidodioxythio)oxyethyldioxythio]phenyl]hydrazinylidene]-7-(oxidodioxythio)-5-oxo-3-[4-(2-sulfonatooxyethoxysulfinyl)phenyl]azo-2-naphthalenesulfonate IUPAC Name: tetrasodium (6Z)-4-amino-6-[[2-methoxy-5-methyl-4-(2-oxidoperoxysulfanyloxyethylperoxysulfanyl)phenyl]hydrazinylidene]-7-oxidoperoxysulfanyl-5-oxo-3-[[4-(2-sulfonatooxyethoxysulfinyl)phenyl]diazenyl]naphthalene-2-sulfonate Traditional Name: tetrasodium (6Z)-4-amino-5-keto-6-[[2-methoxy-5-methyl-4-[2-(oxidoperoxythio)oxyethylperoxythio]phenyl]hydrazono]-7-(oxidoperoxythio)-3-[4-(2-sulfatoethoxysulfinyl)phenyl]azo-naphthalene-2-sulfonate Formula: C28H25N5Na4O20S6 MolecularWeight: 1035.86868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SOOCCOSOO[O-])OC)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)S(=O)OCCOS(=O)(=O)[O-])S(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1SOOCCOSOO[O-])OC)N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)S(=O)OCCOS(=O)(=O)[O-])S(=O)(=O)[O-])SOO[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C28H29N5O20S6.4Na/c1-15-11-19(20(44-2)14-21(15)54-51-45-7-8-46-56-53-50-36)31-32-26-22(55-52-49-35)12-16-13-23(58(38,39)40)27(25(29)24(16)28(26)34)33-30-17-3-5-18(6-4-17)57(37)47-9-10-48-59(41,42)43;;;;/h3-6,11-14,31,35-36H,7-10,29H2,1-2H3,(H,38,39,40)(H,41,42,43);;;;/q;4*+1/p-4/b32-26+,33-30?;;;;