sodium (E)-3-(3,4-dimethylphenyl)prop-2-enoate

Systemtic Name: sodium (E)-3-(3,4-dimethylphenyl)prop-2-enoate Openeye Name: sodium (E)-3-(3,4-dimethylphenyl)prop-2-enoate CAS Name: sodium (E)-3-(3,4-dimethylphenyl)-2-propenoate IUPAC Name: sodium (E)-3-(3,4-dimethylphenyl)prop-2-enoate Traditional Name: sodium (E)-3-(3,4-dimethylphenyl)acrylate Formula: C11H11NaO2 MolecularWeight: 198.19361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)[O-])C.[Na+]

InChI

InChI=1S/C11H12O2.Na/c1-8-3-4-10(7-9(8)2)5-6-11(12)13;/h3-7H,1-2H3,(H,12,13);/q;+1/p-1/b6-5+;