4-[(3-azanyl-4-sulfo-phenyl)amino]-5,6-bis(fluoranyl)pyrimidine-2-diazonium

Systemtic Name: 4-[(3-azanyl-4-sulfo-phenyl)amino]-5,6-bis(fluoranyl)pyrimidine-2-diazonium Openeye Name: 4-(3-amino-4-sulfo-anilino)-5,6-difluoro-pyrimidine-2-diazonium CAS Name: 4-(3-amino-4-sulfoanilino)-5,6-difluoro-2-pyrimidinediazonium IUPAC Name: 4-(3-amino-4-sulfoanilino)-5,6-difluoropyrimidine-2-diazonium Traditional Name: 4-(3-amino-4-sulfo-anilino)-5,6-difluoro-pyrimidine-2-diazonium Formula: C10H7F2N6O3S+ MolecularWeight: 329.262786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C(=NC(=N2)[N+]#N)F)F)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C(=NC(=N2)[N+]#N)F)F)N)S(=O)(=O)O

InChI

InChI=1S/C10H6F2N6O3S/c11-7-8(12)16-10(18-14)17-9(7)15-4-1-2-6(5(13)3-4)22(19,20)21/h1-3H,13H2,(H-,15,16,17,19,20,21)/p+1