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calcium 6-methylheptyl 3-sulfanylpropanoate

calcium 6-methylheptyl 3-sulfanylpropanoate

Systemtic Name:calcium 6-methylheptyl 3-sulfanylpropanoate
Openeye Name:calcium 6-methylheptyl 3-sulfanylpropanoate
CAS Name:calcium 3-mercaptopropanoic acid 6-methylheptyl ester
IUPAC Name:calcium 6-methylheptyl 3-sulfanylpropanoate
Traditional Name:calcium 3-mercaptopropionic acid 6-methylheptyl ester
Formula: C22H44CaO4S2+2
MolecularWeight: 476.79036
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)CCS.CC(C)CCCCCOC(=O)CCS.[Ca+2]


Isomeric SMILES

CC(C)CCCCCOC(=O)CCS.CC(C)CCCCCOC(=O)CCS.[Ca+2]


InChI

InChI=1S/2C11H22O2S.Ca/c2*1-10(2)6-4-3-5-8-13-11(12)7-9-14;/h2*10,14H,3-9H2,1-2H3;/q;;+2


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