[(2E)-2-(3-fluoranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-7-prop-2-enyl-3H-1,3-benzoxazol-5-yl] hydrogen sulfate

Systemtic Name: [(2E)-2-(3-fluoranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-7-prop-2-enyl-3H-1,3-benzoxazol-5-yl] hydrogen sulfate Openeye Name: [(2E)-7-allyl-2-(3-fluoro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl] hydrogen sulfate CAS Name: sulfuric acid [(2E)-2-(3-fluoro-4-oxo-1-cyclohexa-2,5-dienylidene)-7-prop-2-enyl-3H-1,3-benzoxazol-5-yl] ester IUPAC Name: [(2E)-2-(3-fluoro-4-oxocyclohexa-2,5-dien-1-ylidene)-7-prop-2-enyl-3H-1,3-benzoxazol-5-yl] hydrogen sulfate Traditional Name: sulfuric acid [(2E)-7-allyl-2-(3-fluoro-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl] ester Formula: C16H12FNO6S MolecularWeight: 365.332983

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC(=CC2=C1OC(=C3C=CC(=O)C(=C3)F)N2)OS(=O)(=O)O

Isomeric SMILES

C=CCC1=CC(=CC2=C1O/C(=C/3\C=CC(=O)C(=C3)F)/N2)OS(=O)(=O)O

InChI

InChI=1S/C16H12FNO6S/c1-2-3-9-6-11(24-25(20,21)22)8-13-15(9)23-16(18-13)10-4-5-14(19)12(17)7-10/h2,4-8,18H,1,3H2,(H,20,21,22)/b16-10+