11-(phenylmethylsulfanyl)undecanoic acid

Systemtic Name: 11-(phenylmethylsulfanyl)undecanoic acid Openeye Name: 11-benzylsulfanylundecanoic acid CAS Name: 11-(phenylmethylthio)undecanoic acid IUPAC Name: 11-benzylsulfanylundecanoic acid Traditional Name: 11-(benzylthio)undecanoic acid Formula: C18H28O2S MolecularWeight: 308.47872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCCCCCCCCCCC(=O)O

InChI

InChI=1S/C18H28O2S/c19-18(20)14-10-5-3-1-2-4-6-11-15-21-16-17-12-8-7-9-13-17/h7-9,12-13H,1-6,10-11,14-16H2,(H,19,20)