sodium (2,3,4-trimethylphenyl) hexanoate

Systemtic Name: sodium (2,3,4-trimethylphenyl) hexanoate Openeye Name: sodium (2,3,4-trimethylphenyl) hexanoate CAS Name: sodium hexanoic acid (2,3,4-trimethylphenyl) ester IUPAC Name: sodium (2,3,4-trimethylphenyl) hexanoate Traditional Name: sodium hexanoic acid (2,3,4-trimethylphenyl) ester Formula: C15H22NaO2+ MolecularWeight: 257.32375

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C(=C(C=C1)C)C)C.[Na+]

Isomeric SMILES

CCCCCC(=O)OC1=C(C(=C(C=C1)C)C)C.[Na+]

InChI

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