calcium; sodium; 2-ethylhexanoate; hexanoate

Systemtic Name: calcium; sodium; 2-ethylhexanoate; hexanoate Openeye Name: calcium; sodium; 2-ethylhexanoate; hexanoate CAS Name: calcium; sodium; 2-ethylhexanoate; hexanoate IUPAC Name: calcium; sodium; 2-ethylhexanoate; hexanoate Traditional Name: calcium; sodium; 2-ethylhexanoate; hexanoate Formula: C14H26CaNaO4+ MolecularWeight: 321.42161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)[O-].CCCCC(CC)C(=O)[O-].[Na+].[Ca+2]

Isomeric SMILES

CCCCCC(=O)[O-].CCCCC(CC)C(=O)[O-].[Na+].[Ca+2]

InChI

InChI=1S/C8H16O2.C6H12O2.Ca.Na/c1-3-5-6-7(4-2)8(9)10;1-2-3-4-5-6(7)8;;/h7H,3-6H2,1-2H3,(H,9,10);2-5H2,1H3,(H,7,8);;/q;;+2;+1/p-2