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

Systemtic Name: [7-(1-bromanylethenyl)-2-(2-fluoranyl-4-sulfooxy-phenyl)-1,3-benzoxazol-5-yl] hydrogen sulfate Openeye Name: [7-(1-bromovinyl)-2-(2-fluoro-4-sulfooxy-phenyl)-1,3-benzoxazol-5-yl] hydrogen sulfate CAS Name: sulfuric acid [7-(1-bromoethenyl)-2-(2-fluoro-4-sulfooxyphenyl)-1,3-benzoxazol-5-yl] ester IUPAC Name: [7-(1-bromoethenyl)-2-(2-fluoro-4-sulfooxyphenyl)-1,3-benzoxazol-5-yl] hydrogen sulfate Traditional Name: sulfuric acid [7-(1-bromovinyl)-2-(2-fluoro-4-sulfoxy-phenyl)-1,3-benzoxazol-5-yl] ester Formula: C15H9BrFNO9S2 MolecularWeight: 510.265663

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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)OS(=O)(=O)O)Br

Isomeric SMILES

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

InChI

InChI=1S/C15H9BrFNO9S2/c1-7(16)11-4-9(27-29(22,23)24)6-13-14(11)25-15(18-13)10-3-2-8(5-12(10)17)26-28(19,20)21/h2-6H,1H2,(H,19,20,21)(H,22,23,24)