sodium (2Z)-2-(4,6-dimethyl-1-benzofuran-3-ylidene)ethanoate

Systemtic Name: sodium (2Z)-2-(4,6-dimethyl-1-benzofuran-3-ylidene)ethanoate Openeye Name: sodium (2Z)-2-(4,6-dimethylbenzofuran-3-ylidene)acetate CAS Name: sodium (2Z)-2-(4,6-dimethyl-3-benzofuranylidene)acetate IUPAC Name: sodium (2Z)-2-(4,6-dimethyl-1-benzofuran-3-ylidene)acetate Traditional Name: sodium (2Z)-2-(4,6-dimethylcoumaran-3-ylidene)acetate Formula: C12H11NaO3 MolecularWeight: 226.20371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=O)[O-])COC2=C1)C.[Na+]

Isomeric SMILES

CC1=CC(=C2/C(=C/C(=O)[O-])/COC2=C1)C.[Na+]

InChI

InChI=1S/C12H12O3.Na/c1-7-3-8(2)12-9(5-11(13)14)6-15-10(12)4-7;/h3-5H,6H2,1-2H3,(H,13,14);/q;+1/p-1/b9-5+;