2,2-dimethylbutane; octanoate

Systemtic Name: 2,2-dimethylbutane; octanoate Openeye Name: 2,2-dimethylbutane; octanoate CAS Name: 2,2-dimethylbutane; octanoate IUPAC Name: 2,2-dimethylbutane; octanoate Traditional Name: caprylate; 2,2-dimethylbutane Formula: C30H59O6-3 MolecularWeight: 515.78586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCC(C)(C)C

Isomeric SMILES

CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCC(C)(C)C

InChI

InChI=1S/3C8H16O2.C6H14/c3*1-2-3-4-5-6-7-8(9)10;1-5-6(2,3)4/h3*2-7H2,1H3,(H,9,10);5H2,1-4H3/p-3