[4-[7-(1-bromanylethenyl)-5-oxidanyl-1,3-benzoxazol-2-yl]-3-fluoranyl-phenyl] hydrogen sulfate

Systemtic Name: [4-[7-(1-bromanylethenyl)-5-oxidanyl-1,3-benzoxazol-2-yl]-3-fluoranyl-phenyl] hydrogen sulfate Openeye Name: [4-[7-(1-bromovinyl)-5-hydroxy-1,3-benzoxazol-2-yl]-3-fluoro-phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-[7-(1-bromoethenyl)-5-hydroxy-1,3-benzoxazol-2-yl]-3-fluorophenyl] ester IUPAC Name: [4-[7-(1-bromoethenyl)-5-hydroxy-1,3-benzoxazol-2-yl]-3-fluorophenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-[7-(1-bromovinyl)-5-hydroxy-1,3-benzoxazol-2-yl]-3-fluoro-phenyl] ester Formula: C15H9BrFNO6S MolecularWeight: 430.202463

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=CC2=C1OC(=N2)C3=C(C=C(C=C3)OS(=O)(=O)O)F)O)Br

Isomeric SMILES

C=C(C1=CC(=CC2=C1OC(=N2)C3=C(C=C(C=C3)OS(=O)(=O)O)F)O)Br

InChI

InChI=1S/C15H9BrFNO6S/c1-7(16)11-4-8(19)5-13-14(11)23-15(18-13)10-3-2-9(6-12(10)17)24-25(20,21)22/h2-6,19H,1H2,(H,20,21,22)