2-(3-phenethyloxypropylsulfanyl)ethanoic acid

Systemtic Name: 2-(3-phenethyloxypropylsulfanyl)ethanoic acid Openeye Name: 2-(3-phenethyloxypropylsulfanyl)acetic acid CAS Name: 2-(3-phenethyloxypropylthio)acetic acid IUPAC Name: 2-(3-phenethyloxypropylsulfanyl)acetic acid Traditional Name: 2-(3-phenethyloxypropylthio)acetic acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCCSCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOCCCSCC(=O)O

InChI

InChI=1S/C13H18O3S/c14-13(15)11-17-10-4-8-16-9-7-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,14,15)