4-tert-butylsulfonyl-2-ethyl-5-nitro-benzoyl chloride

Systemtic Name: 4-tert-butylsulfonyl-2-ethyl-5-nitro-benzoyl chloride Openeye Name: 4-tert-butylsulfonyl-2-ethyl-5-nitro-benzoyl chloride CAS Name: 4-tert-butylsulfonyl-2-ethyl-5-nitrobenzoyl chloride IUPAC Name: 4-tert-butylsulfonyl-2-ethyl-5-nitrobenzoyl chloride Traditional Name: 4-tert-butylsulfonyl-2-ethyl-5-nitro-benzoyl chloride Formula: C13H16ClNO5S MolecularWeight: 333.78784

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO5S/c1-5-8-6-11(21(19,20)13(2,3)4)10(15(17)18)7-9(8)12(14)16/h6-7H,5H2,1-4H3