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

Systemtic Name: 2-methyl-5-nitro-4-pentylsulfonyl-benzoyl chloride Openeye Name: 2-methyl-5-nitro-4-pentylsulfonyl-benzoyl chloride CAS Name: 2-methyl-5-nitro-4-pentylsulfonylbenzoyl chloride IUPAC Name: 2-methyl-5-nitro-4-pentylsulfonylbenzoyl chloride Traditional Name: 4-amylsulfonyl-2-methyl-5-nitro-benzoyl chloride Formula: C13H16ClNO5S MolecularWeight: 333.78784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO5S/c1-3-4-5-6-21(19,20)12-7-9(2)10(13(14)16)8-11(12)15(17)18/h7-8H,3-6H2,1-2H3