potassium (2,3,6-trimethylphenyl) hexanoate

Systemtic Name: potassium (2,3,6-trimethylphenyl) hexanoate Openeye Name: potassium (2,3,6-trimethylphenyl) hexanoate CAS Name: potassium hexanoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: potassium (2,3,6-trimethylphenyl) hexanoate Traditional Name: potassium hexanoic acid (2,3,6-trimethylphenyl) ester Formula: C15H22KO2+ MolecularWeight: 273.43228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C=CC(=C1C)C)C.[K+]

Isomeric SMILES

CCCCCC(=O)OC1=C(C=CC(=C1C)C)C.[K+]

InChI

InChI=1S/C15H22O2.K/c1-5-6-7-8-14(16)17-15-12(3)10-9-11(2)13(15)4;/h9-10H,5-8H2,1-4H3;/q;+1