sodium phenyl 3,5,5-trimethylhexanoate

Systemtic Name: sodium phenyl 3,5,5-trimethylhexanoate Openeye Name: sodium phenyl 3,5,5-trimethylhexanoate CAS Name: sodium 3,5,5-trimethylhexanoic acid phenyl ester IUPAC Name: sodium phenyl 3,5,5-trimethylhexanoate Traditional Name: sodium 3,5,5-trimethylhexanoic acid phenyl ester Formula: C15H22NaO2+ MolecularWeight: 257.32375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O2.Na/c1-12(11-15(2,3)4)10-14(16)17-13-8-6-5-7-9-13;/h5-9,12H,10-11H2,1-4H3;/q;+1