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

Systemtic Name: 6-(4-nitrophenyl)-2-oxidanyl-3-(2-propan-2-ylphenyl)sulfanyl-pyran-4-one Openeye Name: 2-hydroxy-3-(2-isopropylphenyl)sulfanyl-6-(4-nitrophenyl)pyran-4-one CAS Name: 2-hydroxy-6-(4-nitrophenyl)-3-[(2-propan-2-ylphenyl)thio]-4-pyranone IUPAC Name: 2-hydroxy-6-(4-nitrophenyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-4-one Traditional Name: 2-hydroxy-6-(4-nitrophenyl)-3-(o-cumenylthio)pyran-4-one Formula: C20H17NO5S MolecularWeight: 383.41768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

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