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11-(phenylmethylsulfanyl)carbothioylsulfanylundecanoic acid

11-(phenylmethylsulfanyl)carbothioylsulfanylundecanoic acid

Systemtic Name:11-(phenylmethylsulfanyl)carbothioylsulfanylundecanoic acid
Openeye Name:11-benzylsulfanylcarbothioylsulfanylundecanoic acid
CAS Name:11-[[(phenylmethylthio)-sulfanylidenemethyl]thio]undecanoic acid
IUPAC Name:11-benzylsulfanylcarbothioylsulfanylundecanoic acid
Traditional Name:11-[(benzylthio)carbothioylthio]undecanoic acid
Formula: C19H28O2S3
MolecularWeight: 384.61942
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C19H28O2S3/c20-18(21)14-10-5-3-1-2-4-6-11-15-23-19(22)24-16-17-12-8-7-9-13-17/h7-9,12-13H,1-6,10-11,14-16H2,(H,20,21)


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