3-oxidanylidenebutan-2-yl 4-nitrobenzenecarbodithioate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-nitrobenzenecarbodithioate Openeye Name: (1-methyl-2-oxo-propyl) 4-nitrobenzenecarbodithioate CAS Name: 4-nitrobenzenecarbodithioic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-nitrobenzenecarbodithioate Traditional Name: 4-nitrobenzenecarbodithioic acid (2-keto-1-methyl-propyl) ester Formula: C11H11NO3S2 MolecularWeight: 269.33994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO3S2/c1-7(13)8(2)17-11(16)9-3-5-10(6-4-9)12(14)15/h3-6,8H,1-2H3