sodium 6-(6-morpholin-4-yl-4-oxidanylidene-pyran-2-yl)thianthrene-2-carboxylate

Systemtic Name: sodium 6-(6-morpholin-4-yl-4-oxidanylidene-pyran-2-yl)thianthrene-2-carboxylate Openeye Name: sodium 6-(6-morpholino-4-oxo-pyran-2-yl)thianthrene-2-carboxylate CAS Name: sodium 6-[6-(4-morpholinyl)-4-oxo-2-pyranyl]-2-thianthrenecarboxylate IUPAC Name: sodium 6-(6-morpholin-4-yl-4-oxopyran-2-yl)thianthrene-2-carboxylate Traditional Name: sodium 6-(4-keto-6-morpholino-pyran-2-yl)thianthrene-2-carboxylate Formula: C22H16NNaO5S2 MolecularWeight: 461.48591

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=C(S4)C=CC(=C5)C(=O)[O-].[Na+]

Isomeric SMILES

C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=C(S4)C=CC(=C5)C(=O)[O-].[Na+]

InChI

InChI=1S/C22H17NO5S2.Na/c24-14-11-16(28-20(12-14)23-6-8-27-9-7-23)15-2-1-3-18-21(15)30-17-5-4-13(22(25)26)10-19(17)29-18;/h1-5,10-12H,6-9H2,(H,25,26);/q;+1/p-1