sodium 4-methoxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carboxylate

Systemtic Name: sodium 4-methoxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carboxylate Openeye Name: sodium 4-methoxyspiro[3H-benzofuran-2,1'-cyclohexane]-7-carboxylate CAS Name: sodium 4-methoxy-7-spiro[3H-benzofuran-2,1'-cyclohexane]carboxylate IUPAC Name: sodium 4-methoxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carboxylate Traditional Name: sodium 4-methoxyspiro[coumaran-2,1'-cyclohexane]-7-carboxylate Formula: C15H17NaO4 MolecularWeight: 284.28285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CC3(CCCCC3)OC2=C(C=C1)C(=O)[O-].[Na+]

Isomeric SMILES

COC1=C2CC3(CCCCC3)OC2=C(C=C1)C(=O)[O-].[Na+]

InChI

InChI=1S/C15H18O4.Na/c1-18-12-6-5-10(14(16)17)13-11(12)9-15(19-13)7-3-2-4-8-15;/h5-6H,2-4,7-9H2,1H3,(H,16,17);/q;+1/p-1