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

Systemtic Name: [2-fluoranyl-4-(5-oxidanyl-7-prop-2-enyl-1,3-benzoxazol-2-yl)phenyl] hydrogen sulfate Openeye Name: [4-(7-allyl-5-hydroxy-1,3-benzoxazol-2-yl)-2-fluoro-phenyl] hydrogen sulfate CAS Name: sulfuric acid [2-fluoro-4-(5-hydroxy-7-prop-2-enyl-1,3-benzoxazol-2-yl)phenyl] ester IUPAC Name: [2-fluoro-4-(5-hydroxy-7-prop-2-enyl-1,3-benzoxazol-2-yl)phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-(7-allyl-5-hydroxy-1,3-benzoxazol-2-yl)-2-fluoro-phenyl] ester Formula: C16H12FNO6S MolecularWeight: 365.332983

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC(=CC2=C1OC(=N2)C3=CC(=C(C=C3)OS(=O)(=O)O)F)O

Isomeric SMILES

C=CCC1=CC(=CC2=C1OC(=N2)C3=CC(=C(C=C3)OS(=O)(=O)O)F)O

InChI

InChI=1S/C16H12FNO6S/c1-2-3-9-6-11(19)8-13-15(9)23-16(18-13)10-4-5-14(12(17)7-10)24-25(20,21)22/h2,4-8,19H,1,3H2,(H,20,21,22)