5-[(4-methoxy-6-oxidanylidene-1H-1,3,5-triazin-2-yl)amino]-4-oxidanyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: 5-[(4-methoxy-6-oxidanylidene-1H-1,3,5-triazin-2-yl)amino]-4-oxidanyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-5-[(4-methoxy-6-oxo-1H-1,3,5-triazin-2-yl)amino]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-5-[(4-methoxy-6-oxo-1H-1,3,5-triazin-2-yl)amino]-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-5-[(4-methoxy-6-oxo-1H-1,3,5-triazin-2-yl)amino]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-5-[(6-keto-4-methoxy-1H-s-triazin-2-yl)amino]-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C14H12N4O9S2 MolecularWeight: 444.39648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=O)NC(=N1)NC2=C3C(=CC(=C2)SOOO)C=C(C=C3O)S(=O)(=O)O

Isomeric SMILES

COC1=NC(=O)NC(=N1)NC2=C3C(=CC(=C2)SOOO)C=C(C=C3O)S(=O)(=O)O

InChI

InChI=1S/C14H12N4O9S2/c1-25-14-17-12(16-13(20)18-14)15-9-4-7(28-27-26-21)2-6-3-8(29(22,23)24)5-10(19)11(6)9/h2-5,19,21H,1H3,(H,22,23,24)(H2,15,16,17,18,20)