3-methyl-4-(2-nitrophenyl)sulfanyl-butan-2-one

Systemtic Name: 3-methyl-4-(2-nitrophenyl)sulfanyl-butan-2-one Openeye Name: 3-methyl-4-(2-nitrophenyl)sulfanyl-butan-2-one CAS Name: 3-methyl-4-[(2-nitrophenyl)thio]-2-butanone IUPAC Name: 3-methyl-4-(2-nitrophenyl)sulfanylbutan-2-one Traditional Name: 3-methyl-4-[(2-nitrophenyl)thio]butan-2-one Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(CSC1=CC=CC=C1[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C11H13NO3S/c1-8(9(2)13)7-16-11-6-4-3-5-10(11)12(14)15/h3-6,8H,7H2,1-2H3