2-[[4-[6-[(2-carboxy-4-sulfo-phenyl)amino]-4-fluoranyl-2H-1,3,5-triazin-1-yl]-6-fluoranyl-1,3,5-triazin-2-yl]amino]-4-sulfo-benzoic acid

Systemtic Name: 2-[[4-[6-[(2-carboxy-4-sulfo-phenyl)amino]-4-fluoranyl-2H-1,3,5-triazin-1-yl]-6-fluoranyl-1,3,5-triazin-2-yl]amino]-4-sulfo-benzoic acid Openeye Name: 2-[[4-[6-(2-carboxy-4-sulfo-anilino)-4-fluoro-2H-1,3,5-triazin-1-yl]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-sulfo-benzoic acid CAS Name: 2-[[4-[6-(2-carboxy-4-sulfoanilino)-4-fluoro-2H-1,3,5-triazin-1-yl]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-sulfobenzoic acid IUPAC Name: 2-[[4-[6-(2-carboxy-4-sulfoanilino)-4-fluoro-2H-1,3,5-triazin-1-yl]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-sulfobenzoic acid Traditional Name: 2-[[4-[6-(2-carboxy-4-sulfo-anilino)-4-fluoro-2H-s-triazin-1-yl]-6-fluoro-s-triazin-2-yl]amino]-4-sulfo-benzoic acid Formula: C20H14F2N8O10S2 MolecularWeight: 628.499566

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(N=C(N1C2=NC(=NC(=N2)F)NC3=C(C=CC(=C3)S(=O)(=O)O)C(=O)O)NC4=C(C=C(C=C4)S(=O)(=O)O)C(=O)O)F

Isomeric SMILES

C1N=C(N=C(N1C2=NC(=NC(=N2)F)NC3=C(C=CC(=C3)S(=O)(=O)O)C(=O)O)NC4=C(C=C(C=C4)S(=O)(=O)O)C(=O)O)F

InChI

InChI=1S/C20H14F2N8O10S2/c21-16-23-7-30(19(27-16)25-12-4-2-8(41(35,36)37)5-11(12)15(33)34)20-28-17(22)26-18(29-20)24-13-6-9(42(38,39)40)1-3-10(13)14(31)32/h1-6H,7H2,(H,31,32)(H,33,34)(H,23,25,27)(H,35,36,37)(H,38,39,40)(H,24,26,28,29)