6-methyl-3-(4-nitrophenyl)sulfanyl-2-oxidanyl-pyran-4-one

Systemtic Name: 6-methyl-3-(4-nitrophenyl)sulfanyl-2-oxidanyl-pyran-4-one Openeye Name: 2-hydroxy-6-methyl-3-(4-nitrophenyl)sulfanyl-pyran-4-one CAS Name: 2-hydroxy-6-methyl-3-[(4-nitrophenyl)thio]-4-pyranone IUPAC Name: 2-hydroxy-6-methyl-3-(4-nitrophenyl)sulfanylpyran-4-one Traditional Name: 2-hydroxy-6-methyl-3-[(4-nitrophenyl)thio]pyran-4-one Formula: C12H9NO5S MolecularWeight: 279.26856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9NO5S/c1-7-6-10(14)11(12(15)18-7)19-9-4-2-8(3-5-9)13(16)17/h2-6,15H,1H3