2-ethyl-5-nitro-4-propan-2-ylsulfonyl-benzoyl chloride

Systemtic Name: 2-ethyl-5-nitro-4-propan-2-ylsulfonyl-benzoyl chloride Openeye Name: 2-ethyl-4-isopropylsulfonyl-5-nitro-benzoyl chloride CAS Name: 2-ethyl-5-nitro-4-propan-2-ylsulfonylbenzoyl chloride IUPAC Name: 2-ethyl-5-nitro-4-propan-2-ylsulfonylbenzoyl chloride Traditional Name: 2-ethyl-4-isopropylsulfonyl-5-nitro-benzoyl chloride Formula: C12H14ClNO5S MolecularWeight: 319.76126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)Cl)[N+](=O)[O-])S(=O)(=O)C(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)Cl)[N+](=O)[O-])S(=O)(=O)C(C)C

InChI

InChI=1S/C12H14ClNO5S/c1-4-8-5-11(20(18,19)7(2)3)10(14(16)17)6-9(8)12(13)15/h5-7H,4H2,1-3H3