sodium 8-methoxy-1-oxidanylidene-isothiochromene-3-carboxylate

Systemtic Name: sodium 8-methoxy-1-oxidanylidene-isothiochromene-3-carboxylate Openeye Name: sodium 8-methoxy-1-oxo-isothiochromene-3-carboxylate CAS Name: sodium 8-methoxy-1-oxo-2-benzothiopyran-3-carboxylate IUPAC Name: sodium 8-methoxy-1-oxoisothiochromene-3-carboxylate Traditional Name: sodium 1-keto-8-methoxy-isothiochromene-3-carboxylate Formula: C11H7NaO4S MolecularWeight: 258.22565

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)SC(=C2)C(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC=CC2=C1C(=O)SC(=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C11H8O4S.Na/c1-15-7-4-2-3-6-5-8(10(12)13)16-11(14)9(6)7;/h2-5H,1H3,(H,12,13);/q;+1/p-1