barium(2+); (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate

Systemtic Name: barium(2+); (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate Openeye Name: barium(2+); (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate CAS Name: barium(2+); (5E,8E,11E,14E)-eicosa-5,8,11,14-tetraenoate IUPAC Name: barium(2+); (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate Traditional Name: barium(2+); (5E,8E,11E,14E)-eicosa-5,8,11,14-tetraenoate Formula: C40H62BaO4 MolecularWeight: 744.24488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCC=CCC=CCCCC(=O)[O-].CCCCCC=CCC=CCC=CCC=CCCCC(=O)[O-].[Ba+2]

Isomeric SMILES

CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)[O-].CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)[O-].[Ba+2]

InChI

InChI=1S/2C20H32O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2*6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);/q;;+2/p-2/b2*7-6+,10-9+,13-12+,16-15+;