6-methyl-3-[(4-nitrophenyl)-phenylsulfanyl-methyl]-2-oxidanyl-pyran-4-one

Systemtic Name: 6-methyl-3-[(4-nitrophenyl)-phenylsulfanyl-methyl]-2-oxidanyl-pyran-4-one Openeye Name: 2-hydroxy-6-methyl-3-[(4-nitrophenyl)-phenylsulfanyl-methyl]pyran-4-one CAS Name: 2-hydroxy-6-methyl-3-[(4-nitrophenyl)-(phenylthio)methyl]-4-pyranone IUPAC Name: 2-hydroxy-6-methyl-3-[(4-nitrophenyl)-phenylsulfanylmethyl]pyran-4-one Traditional Name: 2-hydroxy-6-methyl-3-[(4-nitrophenyl)-(phenylthio)methyl]pyran-4-one Formula: C19H15NO5S MolecularWeight: 369.3911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)C(C2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C(C2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC=C3

InChI

InChI=1S/C19H15NO5S/c1-12-11-16(21)17(19(22)25-12)18(26-15-5-3-2-4-6-15)13-7-9-14(10-8-13)20(23)24/h2-11,18,22H,1H3