(E)-3-(3-fluoranyl-4-heptoxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(3-fluoranyl-4-heptoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(3-fluoro-4-heptoxy-phenyl)prop-2-enoic acid CAS Name: (E)-3-(3-fluoro-4-heptoxyphenyl)-2-propenoic acid IUPAC Name: (E)-3-(3-fluoro-4-heptoxyphenyl)prop-2-enoic acid Traditional Name: (E)-3-(3-fluoro-4-heptoxy-phenyl)acrylic acid Formula: C16H21FO3 MolecularWeight: 280.334543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C=CC(=O)O)F

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)O)F

InChI

InChI=1S/C16H21FO3/c1-2-3-4-5-6-11-20-15-9-7-13(12-14(15)17)8-10-16(18)19/h7-10,12H,2-6,11H2,1H3,(H,18,19)/b10-8+