sodium 2-(3,5,5-trimethylhexanoyloxy)benzoate

Systemtic Name: sodium 2-(3,5,5-trimethylhexanoyloxy)benzoate Openeye Name: sodium 2-(3,5,5-trimethylhexanoyloxy)benzoate CAS Name: sodium 2-(3,5,5-trimethyl-1-oxohexoxy)benzoate IUPAC Name: sodium 2-(3,5,5-trimethylhexanoyloxy)benzoate Traditional Name: sodium 2-(3,5,5-trimethylhexanoyloxy)benzoate Formula: C16H21NaO4 MolecularWeight: 300.32531

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1=CC=CC=C1C(=O)[O-])CC(C)(C)C.[Na+]

Isomeric SMILES

CC(CC(=O)OC1=CC=CC=C1C(=O)[O-])CC(C)(C)C.[Na+]

InChI

InChI=1S/C16H22O4.Na/c1-11(10-16(2,3)4)9-14(17)20-13-8-6-5-7-12(13)15(18)19;/h5-8,11H,9-10H2,1-4H3,(H,18,19);/q;+1/p-1