barium(2+); 6-methylheptyl 3-sulfanylpropanoate

Systemtic Name: barium(2+); 6-methylheptyl 3-sulfanylpropanoate Openeye Name: barium(2+); 6-methylheptyl 3-sulfanylpropanoate CAS Name: barium(2+); 3-mercaptopropanoic acid 6-methylheptyl ester IUPAC Name: barium(2+); 6-methylheptyl 3-sulfanylpropanoate Traditional Name: barium(2+); 3-mercaptopropionic acid 6-methylheptyl ester Formula: C22H44BaO4S2+2 MolecularWeight: 574.03936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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