sodium 4-[2,6-di(propan-2-yl)phenoxy]-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-[2,6-di(propan-2-yl)phenoxy]-4-oxidanylidene-butanoate Openeye Name: sodium 4-(2,6-diisopropylphenoxy)-4-oxo-butanoate CAS Name: sodium 4-[2,6-di(propan-2-yl)phenoxy]-4-oxobutanoate IUPAC Name: sodium 4-[2,6-di(propan-2-yl)phenoxy]-4-oxobutanoate Traditional Name: sodium 4-(2,6-diisopropylphenoxy)-4-keto-butyrate Formula: C16H21NaO4 MolecularWeight: 300.32531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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