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

Systemtic Name: [7-ethenyl-2-(3-fluoranyl-4-sulfooxy-phenyl)-1,3-benzoxazol-5-yl] hydrogen sulfate Openeye Name: [2-(3-fluoro-4-sulfooxy-phenyl)-7-vinyl-1,3-benzoxazol-5-yl] hydrogen sulfate CAS Name: sulfuric acid [7-ethenyl-2-(3-fluoro-4-sulfooxyphenyl)-1,3-benzoxazol-5-yl] ester IUPAC Name: [7-ethenyl-2-(3-fluoro-4-sulfooxyphenyl)-1,3-benzoxazol-5-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-(3-fluoro-4-sulfoxy-phenyl)-7-vinyl-1,3-benzoxazol-5-yl] ester Formula: C15H10FNO9S2 MolecularWeight: 431.369603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10FNO9S2/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,(H,18,19,20)(H,21,22,23)