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

Systemtic Name: 7-[4-(phenylsulfanylmethyl)thiolan-3-yl]heptanoic acid Openeye Name: 7-[4-(phenylsulfanylmethyl)tetrahydrothiophen-3-yl]heptanoic acid CAS Name: 7-[4-[(phenylthio)methyl]-3-thiolanyl]heptanoic acid IUPAC Name: 7-[4-(phenylsulfanylmethyl)thiolan-3-yl]heptanoic acid Traditional Name: 7-[4-[(phenylthio)methyl]tetrahydrothiophen-3-yl]enanthic acid Formula: C18H26O2S2 MolecularWeight: 338.52784

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1)CSC2=CC=CC=C2)CCCCCCC(=O)O

Isomeric SMILES

C1C(C(CS1)CSC2=CC=CC=C2)CCCCCCC(=O)O

InChI

InChI=1S/C18H26O2S2/c19-18(20)11-7-2-1-4-8-15-12-21-13-16(15)14-22-17-9-5-3-6-10-17/h3,5-6,9-10,15-16H,1-2,4,7-8,11-14H2,(H,19,20)