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calcium 3-dodecylsulfanylpropanoate

calcium 3-dodecylsulfanylpropanoate

Systemtic Name:calcium 3-dodecylsulfanylpropanoate
Openeye Name:calcium 3-dodecylsulfanylpropanoate
CAS Name:calcium 3-(dodecylthio)propanoate
IUPAC Name:calcium 3-dodecylsulfanylpropanoate
Traditional Name:calcium 3-(laurylthio)propionate
Formula: C30H58CaO4S2
MolecularWeight: 586.98712
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCC(=O)[O-].CCCCCCCCCCCCSCCC(=O)[O-].[Ca+2]


Isomeric SMILES

CCCCCCCCCCCCSCCC(=O)[O-].CCCCCCCCCCCCSCCC(=O)[O-].[Ca+2]


InChI

InChI=1S/2C15H30O2S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2


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