barium(2+); 2-sulfanylethyl (E)-octadec-9-enoate

Systemtic Name: barium(2+); 2-sulfanylethyl (E)-octadec-9-enoate Openeye Name: barium(2+); 2-sulfanylethyl (E)-octadec-9-enoate CAS Name: barium(2+); (E)-9-octadecenoic acid 2-mercaptoethyl ester IUPAC Name: barium(2+); 2-sulfanylethyl (E)-octadec-9-enoate Traditional Name: barium(2+); (E)-octadec-9-enoic acid 2-mercaptoethyl ester Formula: C40H76BaO4S2+2 MolecularWeight: 822.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCS.CCCCCCCCC=CCCCCCCCC(=O)OCCS.[Ba+2]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCCS.CCCCCCCC/C=C/CCCCCCCC(=O)OCCS.[Ba+2]

InChI

InChI=1S/2C20H38O2S.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23;/h2*9-10,23H,2-8,11-19H2,1H3;/q;;+2/b2*10-9+;