sodium 4-(7-methoxy-2,3-dimethyl-1-benzofuran-4-yl)-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-(7-methoxy-2,3-dimethyl-1-benzofuran-4-yl)-4-oxidanylidene-butanoate Openeye Name: sodium 4-(7-methoxy-2,3-dimethyl-benzofuran-4-yl)-4-oxo-butanoate CAS Name: sodium 4-(7-methoxy-2,3-dimethyl-4-benzofuranyl)-4-oxobutanoate IUPAC Name: sodium 4-(7-methoxy-2,3-dimethyl-1-benzofuran-4-yl)-4-oxobutanoate Traditional Name: sodium 4-keto-4-(7-methoxy-2,3-dimethyl-benzofuran-4-yl)butyrate Formula: C15H15NaO5 MolecularWeight: 298.26637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C=CC(=C12)C(=O)CCC(=O)[O-])OC)C.[Na+]

Isomeric SMILES

CC1=C(OC2=C(C=CC(=C12)C(=O)CCC(=O)[O-])OC)C.[Na+]

InChI

InChI=1S/C15H16O5.Na/c1-8-9(2)20-15-12(19-3)6-4-10(14(8)15)11(16)5-7-13(17)18;/h4,6H,5,7H2,1-3H3,(H,17,18);/q;+1/p-1