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sodium 11-(phenylmethylsulfanyl)carbothioylsulfanylundecanoate

sodium 11-(phenylmethylsulfanyl)carbothioylsulfanylundecanoate

Systemtic Name:sodium 11-(phenylmethylsulfanyl)carbothioylsulfanylundecanoate
Openeye Name:sodium 11-benzylsulfanylcarbothioylsulfanylundecanoate
CAS Name:sodium 11-[[(phenylmethylthio)-sulfanylidenemethyl]thio]undecanoate
IUPAC Name:sodium 11-benzylsulfanylcarbothioylsulfanylundecanoate
Traditional Name:sodium 11-[(benzylthio)carbothioylthio]undecanoate
Formula: C19H27NaO2S3
MolecularWeight: 406.60125
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=S)SCCCCCCCCCCC(=O)[O-].[Na+]


Isomeric SMILES

C1=CC=C(C=C1)CSC(=S)SCCCCCCCCCCC(=O)[O-].[Na+]


InChI

InChI=1S/C19H28O2S3.Na/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);/q;+1/p-1


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