6-[4-(3-phenylpropyl)phenyl]sulfanylhexanoic acid

Systemtic Name: 6-[4-(3-phenylpropyl)phenyl]sulfanylhexanoic acid Openeye Name: 6-[4-(3-phenylpropyl)phenyl]sulfanylhexanoic acid CAS Name: 6-[[4-(3-phenylpropyl)phenyl]thio]hexanoic acid IUPAC Name: 6-[4-(3-phenylpropyl)phenyl]sulfanylhexanoic acid Traditional Name: 6-[[4-(3-phenylpropyl)phenyl]thio]hexanoic acid Formula: C21H26O2S MolecularWeight: 342.49494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CC=C(C=C2)SCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CC=C(C=C2)SCCCCCC(=O)O

InChI

InChI=1S/C21H26O2S/c22-21(23)12-5-2-6-17-24-20-15-13-19(14-16-20)11-7-10-18-8-3-1-4-9-18/h1,3-4,8-9,13-16H,2,5-7,10-12,17H2,(H,22,23)