4-[[4-fluoranyl-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[[4-fluoranyl-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[[4-fluoro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[[4-fluoro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[[4-fluoro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[[4-fluoro-6-(3-sulfoanilino)-s-triazin-2-yl]amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C19H14FN5O10S3 MolecularWeight: 587.535363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)F)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)F)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O

InChI

InChI=1S/C19H14FN5O10S3/c20-17-23-18(21-10-2-1-3-11(6-10)36(27,28)29)25-19(24-17)22-14-7-12(37(30,31)32)4-9-5-13(38(33,34)35)8-15(26)16(9)14/h1-8,26H,(H,27,28,29)(H,30,31,32)(H,33,34,35)(H2,21,22,23,24,25)