(E)-6-(5-phenethylthiophen-2-yl)hex-5-enoic acid

Systemtic Name: (E)-6-(5-phenethylthiophen-2-yl)hex-5-enoic acid Openeye Name: (E)-6-(5-phenethyl-2-thienyl)hex-5-enoic acid CAS Name: (E)-6-(5-phenethyl-2-thiophenyl)-5-hexenoic acid IUPAC Name: (E)-6-(5-phenethylthiophen-2-yl)hex-5-enoic acid Traditional Name: (E)-6-(5-phenethyl-2-thienyl)hex-5-enoic acid Formula: C18H20O2S MolecularWeight: 300.4152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=C(S2)C=CCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=C(S2)/C=C/CCCC(=O)O

InChI

InChI=1S/C18H20O2S/c19-18(20)10-6-2-5-9-16-13-14-17(21-16)12-11-15-7-3-1-4-8-15/h1,3-5,7-9,13-14H,2,6,10-12H2,(H,19,20)/b9-5+