7-[4-[(phenylmethylsulfanyl)methyl]thiolan-3-yl]heptanoic acid

Systemtic Name: 7-[4-[(phenylmethylsulfanyl)methyl]thiolan-3-yl]heptanoic acid Openeye Name: 7-[4-(benzylsulfanylmethyl)tetrahydrothiophen-3-yl]heptanoic acid CAS Name: 7-[4-[(phenylmethylthio)methyl]-3-thiolanyl]heptanoic acid IUPAC Name: 7-[4-(benzylsulfanylmethyl)thiolan-3-yl]heptanoic acid Traditional Name: 7-[4-[(benzylthio)methyl]tetrahydrothiophen-3-yl]enanthic acid Formula: C19H28O2S2 MolecularWeight: 352.55442

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1)CSCC2=CC=CC=C2)CCCCCCC(=O)O

Isomeric SMILES

C1C(C(CS1)CSCC2=CC=CC=C2)CCCCCCC(=O)O

InChI

InChI=1S/C19H28O2S2/c20-19(21)11-7-2-1-6-10-17-13-23-15-18(17)14-22-12-16-8-4-3-5-9-16/h3-5,8-9,17-18H,1-2,6-7,10-15H2,(H,20,21)