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5-[(E)-3-phenylprop-2-enyl]sulfanylpentanoic acid

5-[(E)-3-phenylprop-2-enyl]sulfanylpentanoic acid

Systemtic Name:5-[(E)-3-phenylprop-2-enyl]sulfanylpentanoic acid
Openeye Name:5-[(E)-cinnamyl]sulfanylpentanoic acid
CAS Name:5-[[(E)-3-phenylprop-2-enyl]thio]pentanoic acid
IUPAC Name:5-[(E)-3-phenylprop-2-enyl]sulfanylpentanoic acid
Traditional Name:5-[[(E)-cinnamyl]thio]valeric acid
Formula: C14H18O2S
MolecularWeight: 250.35652
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSCCCCC(=O)O


Isomeric SMILES

C1=CC=C(C=C1)/C=C/CSCCCCC(=O)O


InChI

InChI=1S/C14H18O2S/c15-14(16)10-4-5-11-17-12-6-9-13-7-2-1-3-8-13/h1-3,6-9H,4-5,10-12H2,(H,15,16)/b9-6+


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