sodium (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate

Systemtic Name: sodium (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: sodium (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: sodium (E)-3-(4-butoxyphenyl)-2-cyano-2-propenoate IUPAC Name: sodium (E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: sodium (E)-3-(4-butoxyphenyl)-2-cyano-acrylate Formula: C14H14NNaO3 MolecularWeight: 267.25563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)[O-].[Na+]

InChI

InChI=1S/C14H15NO3.Na/c1-2-3-8-18-13-6-4-11(5-7-13)9-12(10-15)14(16)17;/h4-7,9H,2-3,8H2,1H3,(H,16,17);/q;+1/p-1/b12-9+;