[3-fluoranyl-4-(5-pentylthiophen-2-yl)phenyl] (E)-hex-2-enoate

Systemtic Name: [3-fluoranyl-4-(5-pentylthiophen-2-yl)phenyl] (E)-hex-2-enoate Openeye Name: [3-fluoro-4-(5-pentyl-2-thienyl)phenyl] (E)-hex-2-enoate CAS Name: (E)-2-hexenoic acid [3-fluoro-4-(5-pentyl-2-thiophenyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-pentylthiophen-2-yl)phenyl] (E)-hex-2-enoate Traditional Name: (E)-hex-2-enoic acid [4-(5-amyl-2-thienyl)-3-fluoro-phenyl] ester Formula: C21H25FO2S MolecularWeight: 360.485403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(S1)C2=C(C=C(C=C2)OC(=O)C=CCCC)F

Isomeric SMILES

CCCCCC1=CC=C(S1)C2=C(C=C(C=C2)OC(=O)/C=C/CCC)F

InChI

InChI=1S/C21H25FO2S/c1-3-5-7-9-17-12-14-20(25-17)18-13-11-16(15-19(18)22)24-21(23)10-8-6-4-2/h8,10-15H,3-7,9H2,1-2H3/b10-8+