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

Systemtic Name: [7-ethenyl-2-(3-fluoranyl-4-phosphonooxy-phenyl)-1,3-benzoxazol-5-yl] dihydrogen phosphate Openeye Name: [2-(3-fluoro-4-phosphonooxy-phenyl)-7-vinyl-1,3-benzoxazol-5-yl] dihydrogen phosphate CAS Name: [7-ethenyl-2-(3-fluoro-4-phosphonooxyphenyl)-1,3-benzoxazol-5-yl] dihydrogen phosphate IUPAC Name: [7-ethenyl-2-(3-fluoro-4-phosphonooxyphenyl)-1,3-benzoxazol-5-yl] dihydrogen phosphate Traditional Name: [2-(3-fluoro-4-phosphonooxy-phenyl)-7-vinyl-1,3-benzoxazol-5-yl] dihydrogen phosphate Formula: C15H12FNO9P2 MolecularWeight: 431.203005

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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)OP(=O)(O)O

Isomeric SMILES

C=CC1=CC(=CC2=C1OC(=N2)C3=CC(=C(C=C3)OP(=O)(O)O)F)OP(=O)(O)O

InChI

InChI=1S/C15H12FNO9P2/c1-2-8-5-10(25-27(18,19)20)7-12-14(8)24-15(17-12)9-3-4-13(11(16)6-9)26-28(21,22)23/h2-7H,1H2,(H2,18,19,20)(H2,21,22,23)