sodium (E)-3-oxidanylidene-3-(4-propan-2-ylphenyl)prop-1-en-1-olate

Systemtic Name: sodium (E)-3-oxidanylidene-3-(4-propan-2-ylphenyl)prop-1-en-1-olate Openeye Name: sodium (E)-3-(4-isopropylphenyl)-3-oxo-prop-1-en-1-olate CAS Name: sodium (E)-3-oxo-3-(4-propan-2-ylphenyl)-1-propen-1-olate IUPAC Name: sodium (E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-en-1-olate Traditional Name: sodium (E)-3-keto-3-p-cumenyl-prop-1-en-1-olate Formula: C12H13NaO2 MolecularWeight: 212.22019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O2.Na/c1-9(2)10-3-5-11(6-4-10)12(14)7-8-13;/h3-9,13H,1-2H3;/q;+1/p-1/b8-7+;