sodium 6-ethoxy-4-oxidanylidene-thiochromene-2-carboxylate

Systemtic Name: sodium 6-ethoxy-4-oxidanylidene-thiochromene-2-carboxylate Openeye Name: sodium 6-ethoxy-4-oxo-thiochromene-2-carboxylate CAS Name: sodium 6-ethoxy-4-oxo-1-benzothiopyran-2-carboxylate IUPAC Name: sodium 6-ethoxy-4-oxothiochromene-2-carboxylate Traditional Name: sodium 6-ethoxy-4-keto-thiochromene-2-carboxylate Formula: C12H9NaO4S MolecularWeight: 272.25223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)SC(=CC2=O)C(=O)[O-].[Na+]

Isomeric SMILES

CCOC1=CC2=C(C=C1)SC(=CC2=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C12H10O4S.Na/c1-2-16-7-3-4-10-8(5-7)9(13)6-11(17-10)12(14)15;/h3-6H,2H2,1H3,(H,14,15);/q;+1/p-1