5-[[4-fluoranyl-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 5-[[4-fluoranyl-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 5-[[4-fluoro-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 5-[[4-fluoro-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 5-[[4-fluoro-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 5-[[4-fluoro-6-(2-sulfoethylamino)-s-triazin-2-yl]amino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C15H14FN5O7S2 MolecularWeight: 459.429363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC(=C2C(=C1)NC3=NC(=NC(=N3)F)NCCS(=O)(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=CC(=CC(=C2C(=C1)NC3=NC(=NC(=N3)F)NCCS(=O)(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C15H14FN5O7S2/c16-13-19-14(17-4-5-29(23,24)25)21-15(20-13)18-10-3-1-2-8-6-9(30(26,27)28)7-11(22)12(8)10/h1-3,6-7,22H,4-5H2,(H,23,24,25)(H,26,27,28)(H2,17,18,19,20,21)