1-methylsulfanyl-4-(4-nitrophenyl)-4-oxidanyl-butan-2-one

Systemtic Name: 1-methylsulfanyl-4-(4-nitrophenyl)-4-oxidanyl-butan-2-one Openeye Name: 4-hydroxy-1-methylsulfanyl-4-(4-nitrophenyl)butan-2-one CAS Name: 4-hydroxy-1-(methylthio)-4-(4-nitrophenyl)-2-butanone IUPAC Name: 4-hydroxy-1-methylsulfanyl-4-(4-nitrophenyl)butan-2-one Traditional Name: 4-hydroxy-1-(methylthio)-4-(4-nitrophenyl)butan-2-one Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CSCC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C11H13NO4S/c1-17-7-10(13)6-11(14)8-2-4-9(5-3-8)12(15)16/h2-5,11,14H,6-7H2,1H3