7-[4-[2-(phenylmethylsulfanyl)ethyl]oxolan-3-yl]heptanoic acid

Systemtic Name: 7-[4-[2-(phenylmethylsulfanyl)ethyl]oxolan-3-yl]heptanoic acid Openeye Name: 7-[4-(2-benzylsulfanylethyl)tetrahydrofuran-3-yl]heptanoic acid CAS Name: 7-[4-[2-(phenylmethylthio)ethyl]-3-oxolanyl]heptanoic acid IUPAC Name: 7-[4-(2-benzylsulfanylethyl)oxolan-3-yl]heptanoic acid Traditional Name: 7-[4-[2-(benzylthio)ethyl]tetrahydrofuran-3-yl]enanthic acid Formula: C20H30O3S MolecularWeight: 350.5154

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CO1)CCSCC2=CC=CC=C2)CCCCCCC(=O)O

Isomeric SMILES

C1C(C(CO1)CCSCC2=CC=CC=C2)CCCCCCC(=O)O

InChI

InChI=1S/C20H30O3S/c21-20(22)11-7-2-1-6-10-18-14-23-15-19(18)12-13-24-16-17-8-4-3-5-9-17/h3-5,8-9,18-19H,1-2,6-7,10-16H2,(H,21,22)