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

Systemtic Name: [2-fluoranyl-4-(7-prop-2-enyl-5-sulfooxy-1,3-benzoxazol-2-yl)phenyl] hydrogen sulfate Openeye Name: [7-allyl-2-(3-fluoro-4-sulfooxy-phenyl)-1,3-benzoxazol-5-yl] hydrogen sulfate CAS Name: sulfuric acid [2-fluoro-4-(7-prop-2-enyl-5-sulfooxy-1,3-benzoxazol-2-yl)phenyl] ester IUPAC Name: [2-fluoro-4-(7-prop-2-enyl-5-sulfooxy-1,3-benzoxazol-2-yl)phenyl] hydrogen sulfate Traditional Name: sulfuric acid [7-allyl-2-(3-fluoro-4-sulfoxy-phenyl)-1,3-benzoxazol-5-yl] ester Formula: C16H12FNO9S2 MolecularWeight: 445.396183

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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)OS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H12FNO9S2/c1-2-3-9-6-11(26-28(19,20)21)8-13-15(9)25-16(18-13)10-4-5-14(12(17)7-10)27-29(22,23)24/h2,4-8H,1,3H2,(H,19,20,21)(H,22,23,24)