sodium 4-cyano-2-methoxycarbonyl-4-phenyl-cyclohexen-1-olate

Systemtic Name: sodium 4-cyano-2-methoxycarbonyl-4-phenyl-cyclohexen-1-olate Openeye Name: sodium 4-cyano-2-methoxycarbonyl-4-phenyl-cyclohexen-1-olate CAS Name: sodium 4-cyano-2-methoxycarbonyl-4-phenyl-1-cyclohexenolate IUPAC Name: sodium 4-cyano-2-methoxycarbonyl-4-phenylcyclohexen-1-olate Traditional Name: sodium 2-carbomethoxy-4-cyano-4-phenyl-cyclohexen-1-olate Formula: C15H14NNaO3 MolecularWeight: 279.26633

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CCC(C1)(C#N)C2=CC=CC=C2)[O-].[Na+]

Isomeric SMILES

COC(=O)C1=C(CCC(C1)(C#N)C2=CC=CC=C2)[O-].[Na+]

InChI

InChI=1S/C15H15NO3.Na/c1-19-14(18)12-9-15(10-16,8-7-13(12)17)11-5-3-2-4-6-11;/h2-6,17H,7-9H2,1H3;/q;+1/p-1