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11-phenylsulfanylundecanoic acid

11-phenylsulfanylundecanoic acid

Systemtic Name:11-phenylsulfanylundecanoic acid
Openeye Name:11-phenylsulfanylundecanoic acid
CAS Name:11-(phenylthio)undecanoic acid
IUPAC Name:11-phenylsulfanylundecanoic acid
Traditional Name:11-(phenylthio)undecanoic acid
Formula: C17H26O2S
MolecularWeight: 294.45214
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCCCCCCCCC(=O)O


Isomeric SMILES

C1=CC=C(C=C1)SCCCCCCCCCCC(=O)O


InChI

InChI=1S/C17H26O2S/c18-17(19)14-10-5-3-1-2-4-6-11-15-20-16-12-8-7-9-13-16/h7-9,12-13H,1-6,10-11,14-15H2,(H,18,19)


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