barium(2+); 6-methylheptyl 2-sulfanylethanoate

Systemtic Name: barium(2+); 6-methylheptyl 2-sulfanylethanoate Openeye Name: barium(2+); 6-methylheptyl 2-sulfanylacetate CAS Name: barium(2+); 2-mercaptoacetic acid 6-methylheptyl ester IUPAC Name: barium(2+); 6-methylheptyl 2-sulfanylacetate Traditional Name: barium(2+); 2-mercaptoacetic acid 6-methylheptyl ester Formula: C20H40BaO4S2+2 MolecularWeight: 545.9862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H20O2S.Ba/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;/h2*9,13H,3-8H2,1-2H3;/q;;+2