barium(2+); 2-heptylphenolate; carbonate

Systemtic Name: barium(2+); 2-heptylphenolate; carbonate Openeye Name: barium(2+); 2-heptylphenolate; carbonate CAS Name: barium(2+); 2-heptylphenolate; carbonate IUPAC Name: barium(2+); 2-heptylphenolate; carbonate Traditional Name: barium(2+); 2-heptylphenolate; carbonate Formula: C27H38Ba2O5 MolecularWeight: 717.24162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC=C1[O-].CCCCCCCC1=CC=CC=C1[O-].C(=O)([O-])[O-].[Ba+2].[Ba+2]

Isomeric SMILES

CCCCCCCC1=CC=CC=C1[O-].CCCCCCCC1=CC=CC=C1[O-].C(=O)([O-])[O-].[Ba+2].[Ba+2]

InChI

InChI=1S/2C13H20O.CH2O3.2Ba/c2*1-2-3-4-5-6-9-12-10-7-8-11-13(12)14;2-1(3)4;;/h2*7-8,10-11,14H,2-6,9H2,1H3;(H2,2,3,4);;/q;;;2*+2/p-4