8-(4-azanyl-1,3,5-triazin-2-yl)-5,7-bis(fluoranyl)naphthalene-1,3-disulfonic acid

Systemtic Name: 8-(4-azanyl-1,3,5-triazin-2-yl)-5,7-bis(fluoranyl)naphthalene-1,3-disulfonic acid Openeye Name: 8-(4-amino-1,3,5-triazin-2-yl)-5,7-difluoro-naphthalene-1,3-disulfonic acid CAS Name: 8-(4-amino-1,3,5-triazin-2-yl)-5,7-difluoronaphthalene-1,3-disulfonic acid IUPAC Name: 8-(4-amino-1,3,5-triazin-2-yl)-5,7-difluoronaphthalene-1,3-disulfonic acid Traditional Name: 8-(4-amino-s-triazin-2-yl)-5,7-difluoro-naphthalene-1,3-disulfonic acid Formula: C13H8F2N4O6S2 MolecularWeight: 418.352626

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=CC(=C(C2=C1S(=O)(=O)O)C3=NC(=NC=N3)N)F)F)S(=O)(=O)O

Isomeric SMILES

C1=C(C=C2C(=CC(=C(C2=C1S(=O)(=O)O)C3=NC(=NC=N3)N)F)F)S(=O)(=O)O

InChI

InChI=1S/C13H8F2N4O6S2/c14-7-3-8(15)11(12-17-4-18-13(16)19-12)10-6(7)1-5(26(20,21)22)2-9(10)27(23,24)25/h1-4H,(H,20,21,22)(H,23,24,25)(H2,16,17,18,19)