sodium 3-[[4-[(4-diazenyl-2-methoxy-phenyl)amino]-6-(3-sulfopropylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonic acid

Systemtic Name: sodium 3-[[4-[(4-diazenyl-2-methoxy-phenyl)amino]-6-(3-sulfopropylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonic acid Openeye Name: sodium 3-[[4-(4-diazenyl-2-methoxy-anilino)-6-(3-sulfopropylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonic acid CAS Name: sodium 3-[[4-(4-diazenyl-2-methoxyanilino)-6-(3-sulfopropylthio)-1,3,5-triazin-2-yl]thio]-1-propanesulfonic acid IUPAC Name: sodium 3-[[4-(4-diazenyl-2-methoxyanilino)-6-(3-sulfopropylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonic acid Traditional Name: sodium 3-[[4-(4-diazenyl-2-methoxy-anilino)-6-(3-sulfopropylthio)-s-triazin-2-yl]thio]propane-1-sulfonic acid Formula: C16H22N6NaO7S4+ MolecularWeight: 561.63165

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=N)NC2=NC(=NC(=N2)SCCCS(=O)(=O)O)SCCCS(=O)(=O)O.[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)N=N)NC2=NC(=NC(=N2)SCCCS(=O)(=O)O)SCCCS(=O)(=O)O.[Na+]

InChI

InChI=1S/C16H22N6O7S4.Na/c1-29-13-10-11(22-17)4-5-12(13)18-14-19-15(30-6-2-8-32(23,24)25)21-16(20-14)31-7-3-9-33(26,27)28;/h4-5,10,17H,2-3,6-9H2,1H3,(H,23,24,25)(H,26,27,28)(H,18,19,20,21);/q;+1