phenethyl (E)-3-[2-fluoranyl-4,5-bis(oxidanyl)phenyl]prop-2-enoate

Systemtic Name: phenethyl (E)-3-[2-fluoranyl-4,5-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: phenethyl (E)-3-(2-fluoro-4,5-dihydroxy-phenyl)prop-2-enoate CAS Name: (E)-3-(2-fluoro-4,5-dihydroxyphenyl)-2-propenoic acid phenethyl ester IUPAC Name: phenethyl (E)-3-(2-fluoro-4,5-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2-fluoro-4,5-dihydroxy-phenyl)acrylic acid phenethyl ester Formula: C17H15FO4 MolecularWeight: 302.297003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)C=CC2=CC(=C(C=C2F)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)/C=C/C2=CC(=C(C=C2F)O)O

InChI

InChI=1S/C17H15FO4/c18-14-11-16(20)15(19)10-13(14)6-7-17(21)22-9-8-12-4-2-1-3-5-12/h1-7,10-11,19-20H,8-9H2/b7-6+