dibismuth; 7,7-dimethyloctanoate; 2-ethylhexanoate

Systemtic Name: dibismuth; 7,7-dimethyloctanoate; 2-ethylhexanoate Openeye Name: dibismuth; 7,7-dimethyloctanoate; 2-ethylhexanoate CAS Name: dibismuth; 7,7-dimethyloctanoate; 2-ethylhexanoate IUPAC Name: dibismuth; 7,7-dimethyloctanoate; 2-ethylhexanoate Traditional Name: dibismuth; 7,7-dimethylcaprylate; 2-ethylhexanoate Formula: C54H102Bi2O12 MolecularWeight: 1361.34124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Bi+3].[Bi+3]

Isomeric SMILES

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Bi+3].[Bi+3]

InChI

InChI=1S/3C10H20O2.3C8H16O2.2Bi/c3*1-10(2,3)8-6-4-5-7-9(11)12;3*1-3-5-6-7(4-2)8(9)10;;/h3*4-8H2,1-3H3,(H,11,12);3*7H,3-6H2,1-2H3,(H,9,10);;/q;;;;;;2*+3/p-6