4-butylsulfonyl-2-methyl-5-nitro-benzoyl chloride

Systemtic Name: 4-butylsulfonyl-2-methyl-5-nitro-benzoyl chloride Openeye Name: 4-butylsulfonyl-2-methyl-5-nitro-benzoyl chloride CAS Name: 4-butylsulfonyl-2-methyl-5-nitrobenzoyl chloride IUPAC Name: 4-butylsulfonyl-2-methyl-5-nitrobenzoyl chloride Traditional Name: 4-butylsulfonyl-2-methyl-5-nitro-benzoyl chloride Formula: C12H14ClNO5S MolecularWeight: 319.76126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=C(C=C(C(=C1)C)C(=O)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCS(=O)(=O)C1=C(C=C(C(=C1)C)C(=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H14ClNO5S/c1-3-4-5-20(18,19)11-6-8(2)9(12(13)15)7-10(11)14(16)17/h6-7H,3-5H2,1-2H3