4-[(4-fluoranyl-1,4-dihydro-1,3,5-triazin-2-yl)amino]-5-methyl-benzene-1,2-disulfonic acid

Systemtic Name: 4-[(4-fluoranyl-1,4-dihydro-1,3,5-triazin-2-yl)amino]-5-methyl-benzene-1,2-disulfonic acid Openeye Name: 4-[(4-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]-5-methyl-benzene-1,2-disulfonic acid CAS Name: 4-[(4-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]-5-methylbenzene-1,2-disulfonic acid IUPAC Name: 4-[(4-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)amino]-5-methylbenzene-1,2-disulfonic acid Traditional Name: 4-[(4-fluoro-1,4-dihydro-s-triazin-2-yl)amino]-5-methyl-benzene-1,2-disulfonic acid Formula: C10H11FN4O6S2 MolecularWeight: 366.345943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC2=NC(N=CN2)F)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1NC2=NC(N=CN2)F)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H11FN4O6S2/c1-5-2-7(22(16,17)18)8(23(19,20)21)3-6(5)14-10-13-4-12-9(11)15-10/h2-4,9H,1H3,(H,16,17,18)(H,19,20,21)(H2,12,13,14,15)