2-(phenylmethylsulfanyl)undecanoic acid

Systemtic Name: 2-(phenylmethylsulfanyl)undecanoic acid Openeye Name: 2-benzylsulfanylundecanoic acid CAS Name: 2-(phenylmethylthio)undecanoic acid IUPAC Name: 2-benzylsulfanylundecanoic acid Traditional Name: 2-(benzylthio)undecanoic acid Formula: C18H28O2S MolecularWeight: 308.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(=O)O)SCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCC(C(=O)O)SCC1=CC=CC=C1

InChI

InChI=1S/C18H28O2S/c1-2-3-4-5-6-7-11-14-17(18(19)20)21-15-16-12-9-8-10-13-16/h8-10,12-13,17H,2-7,11,14-15H2,1H3,(H,19,20)