4-cyclobutylsulfonyl-2-ethyl-5-nitro-benzoyl chloride

Systemtic Name: 4-cyclobutylsulfonyl-2-ethyl-5-nitro-benzoyl chloride Openeye Name: 4-cyclobutylsulfonyl-2-ethyl-5-nitro-benzoyl chloride CAS Name: 4-cyclobutylsulfonyl-2-ethyl-5-nitrobenzoyl chloride IUPAC Name: 4-cyclobutylsulfonyl-2-ethyl-5-nitrobenzoyl chloride Traditional Name: 4-cyclobutylsulfonyl-2-ethyl-5-nitro-benzoyl chloride Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)Cl)[N+](=O)[O-])S(=O)(=O)C2CCC2

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)Cl)[N+](=O)[O-])S(=O)(=O)C2CCC2

InChI

InChI=1S/C13H14ClNO5S/c1-2-8-6-12(21(19,20)9-4-3-5-9)11(15(17)18)7-10(8)13(14)16/h6-7,9H,2-5H2,1H3