sodium 4-methoxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-6-carboxylate

Systemtic Name: sodium 4-methoxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-6-carboxylate Openeye Name: sodium 4-methoxyspiro[3H-benzofuran-2,1'-cyclohexane]-6-carboxylate CAS Name: sodium 4-methoxy-6-spiro[3H-benzofuran-2,1'-cyclohexane]carboxylate IUPAC Name: sodium 4-methoxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-6-carboxylate Traditional Name: sodium 4-methoxyspiro[coumaran-2,1'-cyclohexane]-6-carboxylate Formula: C15H17NaO4 MolecularWeight: 284.28285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1CC3(O2)CCCCC3)C(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC(=CC2=C1CC3(O2)CCCCC3)C(=O)[O-].[Na+]

InChI

InChI=1S/C15H18O4.Na/c1-18-12-7-10(14(16)17)8-13-11(12)9-15(19-13)5-3-2-4-6-15;/h7-8H,2-6,9H2,1H3,(H,16,17);/q;+1/p-1