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

Systemtic Name: 7-[4-(2-phenylsulfanylethyl)oxolan-3-yl]heptanoic acid Openeye Name: 7-[4-(2-phenylsulfanylethyl)tetrahydrofuran-3-yl]heptanoic acid CAS Name: 7-[4-[2-(phenylthio)ethyl]-3-oxolanyl]heptanoic acid IUPAC Name: 7-[4-(2-phenylsulfanylethyl)oxolan-3-yl]heptanoic acid Traditional Name: 7-[4-[2-(phenylthio)ethyl]tetrahydrofuran-3-yl]enanthic acid Formula: C19H28O3S MolecularWeight: 336.48882

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CO1)CCSC2=CC=CC=C2)CCCCCCC(=O)O

Isomeric SMILES

C1C(C(CO1)CCSC2=CC=CC=C2)CCCCCCC(=O)O

InChI

InChI=1S/C19H28O3S/c20-19(21)11-7-2-1-4-8-16-14-22-15-17(16)12-13-23-18-9-5-3-6-10-18/h3,5-6,9-10,16-17H,1-2,4,7-8,11-15H2,(H,20,21)