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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC(=C(C2=C1OC(=N2)C3=CC(=C(C=C3)OS(=O)(=O)O)F)Br)OS(=O)(=O)O

Isomeric SMILES

C=CC1=CC(=C(C2=C1OC(=N2)C3=CC(=C(C=C3)OS(=O)(=O)O)F)Br)OS(=O)(=O)O

InChI

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