sodium 3-methyl-2-oxidanylidene-3-phenyl-nonanoate

Systemtic Name: sodium 3-methyl-2-oxidanylidene-3-phenyl-nonanoate Openeye Name: sodium 3-methyl-2-oxo-3-phenyl-nonanoate CAS Name: sodium 3-methyl-2-oxo-3-phenylnonanoate IUPAC Name: sodium 3-methyl-2-oxo-3-phenylnonanoate Traditional Name: sodium 2-keto-3-methyl-3-phenyl-pelargonate Formula: C16H21NaO3 MolecularWeight: 284.32591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O3.Na/c1-3-4-5-9-12-16(2,14(17)15(18)19)13-10-7-6-8-11-13;/h6-8,10-11H,3-5,9,12H2,1-2H3,(H,18,19);/q;+1/p-1