disodium [4-(7-ethenyl-5-oxidanyl-1,3-benzoxazol-2-yl)-2-fluoranyl-phenyl] phosphate

Systemtic Name: disodium [4-(7-ethenyl-5-oxidanyl-1,3-benzoxazol-2-yl)-2-fluoranyl-phenyl] phosphate Openeye Name: disodium [2-fluoro-4-(5-hydroxy-7-vinyl-1,3-benzoxazol-2-yl)phenyl] phosphate CAS Name: disodium [4-(7-ethenyl-5-hydroxy-1,3-benzoxazol-2-yl)-2-fluorophenyl] phosphate IUPAC Name: disodium [4-(7-ethenyl-5-hydroxy-1,3-benzoxazol-2-yl)-2-fluorophenyl] phosphate Traditional Name: disodium [2-fluoro-4-(5-hydroxy-7-vinyl-1,3-benzoxazol-2-yl)phenyl] phosphate Formula: C15H9FNNa2O6P MolecularWeight: 395.186764

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC(=CC2=C1OC(=N2)C3=CC(=C(C=C3)OP(=O)([O-])[O-])F)O.[Na+].[Na+]

Isomeric SMILES

C=CC1=CC(=CC2=C1OC(=N2)C3=CC(=C(C=C3)OP(=O)([O-])[O-])F)O.[Na+].[Na+]

InChI

InChI=1S/C15H11FNO6P.2Na/c1-2-8-5-10(18)7-12-14(8)22-15(17-12)9-3-4-13(11(16)6-9)23-24(19,20)21;;/h2-7,18H,1H2,(H2,19,20,21);;/q;2*+1/p-2