sodium 5-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]pentanoate

Systemtic Name: sodium 5-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]pentanoate Openeye Name: sodium 2-(2-tert-butoxy-2-oxo-ethyl)-5-cyclohexyl-pentanoate CAS Name: sodium 5-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoate IUPAC Name: sodium 5-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoate Traditional Name: sodium 2-(2-tert-butoxy-2-keto-ethyl)-5-cyclohexyl-valerate Formula: C17H29NaO4 MolecularWeight: 320.39953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H30O4.Na/c1-17(2,3)21-15(18)12-14(16(19)20)11-7-10-13-8-5-4-6-9-13;/h13-14H,4-12H2,1-3H3,(H,19,20);/q;+1/p-1