5-[(4-chloranyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-methyl-4-(trioxidanylsulfanyl)benzenesulfonic acid

Systemtic Name: 5-[(4-chloranyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-methyl-4-(trioxidanylsulfanyl)benzenesulfonic acid Openeye Name: 5-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methyl-4-(trioxidanylsulfanyl)benzenesulfonic acid CAS Name: 5-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methyl-4-(trioxidanylthio)benzenesulfonic acid IUPAC Name: 5-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methyl-4-(trioxidanylsulfanyl)benzenesulfonic acid Traditional Name: 5-[(4-anilino-6-chloro-s-triazin-2-yl)amino]-2-methyl-4-(trioxidanylthio)besylic acid Formula: C16H14ClN5O6S2 MolecularWeight: 471.89526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)NC2=NC(=NC(=N2)NC3=CC=CC=C3)Cl)SOOO

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)NC2=NC(=NC(=N2)NC3=CC=CC=C3)Cl)SOOO

InChI

InChI=1S/C16H14ClN5O6S2/c1-9-7-12(29-28-27-23)11(8-13(9)30(24,25)26)19-16-21-14(17)20-15(22-16)18-10-5-3-2-4-6-10/h2-8,23H,1H3,(H,24,25,26)(H2,18,19,20,21,22)