trisodium 3-[[4-[[2-methoxy-5-methyl-4-[(3-oxidanidylperoxysulfanylphenyl)diazenyl]phenyl]amino]-6-(3-sulfonatopropylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonate

Systemtic Name: trisodium 3-[[4-[[2-methoxy-5-methyl-4-[(3-oxidanidylperoxysulfanylphenyl)diazenyl]phenyl]amino]-6-(3-sulfonatopropylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonate Openeye Name: trisodium 3-[[4-[2-methoxy-5-methyl-4-(3-oxidoperoxysulfanylphenyl)azo-anilino]-6-(3-sulfonatopropylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonate CAS Name: trisodium 3-[[4-[2-methoxy-5-methyl-4-[3-(oxidodioxythio)phenyl]azoanilino]-6-(3-sulfonatopropylthio)-1,3,5-triazin-2-yl]thio]-1-propanesulfonate IUPAC Name: trisodium 3-[[4-[2-methoxy-5-methyl-4-[(3-oxidoperoxysulfanylphenyl)diazenyl]anilino]-6-(3-sulfonatopropylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonate Traditional Name: trisodium 3-[[4-[2-methoxy-5-methyl-4-[3-(oxidoperoxythio)phenyl]azo-anilino]-6-(3-sulfonatopropylthio)-s-triazin-2-yl]thio]propane-1-sulfonate Formula: C23H25N6Na3O10S5 MolecularWeight: 774.77311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=CC(=CC=C2)SOO[O-])OC)NC3=NC(=NC(=N3)SCCCS(=O)(=O)[O-])SCCCS(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=CC(=CC=C2)SOO[O-])OC)NC3=NC(=NC(=N3)SCCCS(=O)(=O)[O-])SCCCS(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C23H28N6O10S5.3Na/c1-15-12-19(20(37-2)14-18(15)29-28-16-6-3-7-17(13-16)42-39-38-30)24-21-25-22(40-8-4-10-43(31,32)33)27-23(26-21)41-9-5-11-44(34,35)36;;;/h3,6-7,12-14,30H,4-5,8-11H2,1-2H3,(H,31,32,33)(H,34,35,36)(H,24,25,26,27);;;/q;3*+1/p-3