3-[1-(4-nitrophenyl)-3-oxidanylidene-pentyl]-2-oxidanyl-thiochromen-4-one

Systemtic Name: 3-[1-(4-nitrophenyl)-3-oxidanylidene-pentyl]-2-oxidanyl-thiochromen-4-one Openeye Name: 2-hydroxy-3-[1-(4-nitrophenyl)-3-oxo-pentyl]thiochromen-4-one CAS Name: 2-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-1-benzothiopyran-4-one IUPAC Name: 2-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]thiochromen-4-one Traditional Name: 2-hydroxy-3-[3-keto-1-(4-nitrophenyl)pentyl]thiochromen-4-one Formula: C20H17NO5S MolecularWeight: 383.41768

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO5S/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