sodium phenyl 2,2,3-trimethylhexanoate

Systemtic Name: sodium phenyl 2,2,3-trimethylhexanoate Openeye Name: sodium phenyl 2,2,3-trimethylhexanoate CAS Name: sodium 2,2,3-trimethylhexanoic acid phenyl ester IUPAC Name: sodium phenyl 2,2,3-trimethylhexanoate Traditional Name: sodium 2,2,3-trimethylhexanoic acid phenyl ester Formula: C15H22NaO2+ MolecularWeight: 257.32375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O2.Na/c1-5-9-12(2)15(3,4)14(16)17-13-10-7-6-8-11-13;/h6-8,10-12H,5,9H2,1-4H3;/q;+1