sodium 7-methoxy-1-oxidanylidene-isothiochromene-3-carboxylate

Systemtic Name: sodium 7-methoxy-1-oxidanylidene-isothiochromene-3-carboxylate Openeye Name: sodium 7-methoxy-1-oxo-isothiochromene-3-carboxylate CAS Name: sodium 7-methoxy-1-oxo-2-benzothiopyran-3-carboxylate IUPAC Name: sodium 7-methoxy-1-oxoisothiochromene-3-carboxylate Traditional Name: sodium 1-keto-7-methoxy-isothiochromene-3-carboxylate Formula: C11H7NaO4S MolecularWeight: 258.22565

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(SC2=O)C(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(SC2=O)C(=O)[O-].[Na+]

InChI

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