sodium 3-[1-(4-nitrophenyl)-3-oxidanylidene-pentyl]-4-oxidanylidene-thiochromen-2-olate

Systemtic Name: sodium 3-[1-(4-nitrophenyl)-3-oxidanylidene-pentyl]-4-oxidanylidene-thiochromen-2-olate Openeye Name: sodium 3-[1-(4-nitrophenyl)-3-oxo-pentyl]-4-oxo-thiochromen-2-olate CAS Name: sodium 3-[1-(4-nitrophenyl)-3-oxopentyl]-4-oxo-1-benzothiopyran-2-olate IUPAC Name: sodium 3-[1-(4-nitrophenyl)-3-oxopentyl]-4-oxothiochromen-2-olate Traditional Name: sodium 4-keto-3-[3-keto-1-(4-nitrophenyl)pentyl]thiochromen-2-olate Formula: C20H16NNaO5S MolecularWeight: 405.39951

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(SC3=CC=CC=C3C2=O)[O-].[Na+]

Isomeric SMILES

CCC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(SC3=CC=CC=C3C2=O)[O-].[Na+]

InChI

InChI=1S/C20H17NO5S.Na/c1-2-14(22)11-16(12-7-9-13(10-8-12)21(25)26)18-19(23)15-5-3-4-6-17(15)27-20(18)24;/h3-10,16,24H,2,11H2,1H3;/q;+1/p-1