(6E)-4-[[4-chloranyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-5-oxidanylidene-6-(phenylhydrazinylidene)-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: (6E)-4-[[4-chloranyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-5-oxidanylidene-6-(phenylhydrazinylidene)-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: (6E)-4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-5-oxo-6-(phenylhydrazono)-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: (6E)-4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-5-oxo-6-(phenylhydrazinylidene)-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: (6E)-4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-5-oxo-6-(phenylhydrazinylidene)-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: (6E)-4-[[4-chloro-6-(methylamino)-s-triazin-2-yl]amino]-5-keto-6-(phenylhydrazono)-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C20H16ClN7O7S2 MolecularWeight: 565.96674

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC(=N1)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=NNC4=CC=CC=C4)C3=O)SOOO)Cl

Isomeric SMILES

CNC1=NC(=NC(=N1)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(/C(=N/NC4=CC=CC=C4)/C3=O)SOOO)Cl

InChI

InChI=1S/C20H16ClN7O7S2/c1-22-19-24-18(21)25-20(26-19)23-13-9-12(37(31,32)33)7-10-8-14(36-35-34-30)16(17(29)15(10)13)28-27-11-5-3-2-4-6-11/h2-9,27,30H,1H3,(H,31,32,33)(H2,22,23,24,25,26)/b28-16-