barium(2+); (E)-octadec-9-enoic acid; dicarbonate; diphenoxide

Systemtic Name: barium(2+); (E)-octadec-9-enoic acid; dicarbonate; diphenoxide Openeye Name: barium(2+); (E)-octadec-9-enoic acid; dicarbonate; diphenoxide CAS Name: barium(2+); (E)-9-octadecenoic acid; dicarbonate; diphenoxide IUPAC Name: barium(2+); (E)-octadec-9-enoic acid; dicarbonate; diphenoxide Traditional Name: barium(2+); elaidic acid; dicarbonate; diphenoxide Formula: C32H44Ba3O10 MolecularWeight: 1000.66676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[Ba+2].[Ba+2].[Ba+2]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[Ba+2].[Ba+2].[Ba+2]

InChI

InChI=1S/C18H34O2.2C6H6O.2CH2O3.3Ba/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*7-6-4-2-1-3-5-6;2*2-1(3)4;;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);2*1-5,7H;2*(H2,2,3,4);;;/q;;;;;3*+2/p-6/b10-9+;;;;;;;