2-[4-(2-methylpropyl)-3-nitro-phenyl]benzenesulfonyl chloride

Systemtic Name: 2-[4-(2-methylpropyl)-3-nitro-phenyl]benzenesulfonyl chloride Openeye Name: 2-(4-isobutyl-3-nitro-phenyl)benzenesulfonyl chloride CAS Name: 2-[4-(2-methylpropyl)-3-nitrophenyl]benzenesulfonyl chloride IUPAC Name: 2-[4-(2-methylpropyl)-3-nitrophenyl]benzenesulfonyl chloride Traditional Name: 2-(4-isobutyl-3-nitro-phenyl)benzenesulfonyl chloride Formula: C16H16ClNO4S MolecularWeight: 353.82054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=C(C=C1)C2=CC=CC=C2S(=O)(=O)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=C(C=C(C=C1)C2=CC=CC=C2S(=O)(=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClNO4S/c1-11(2)9-13-8-7-12(10-15(13)18(19)20)14-5-3-4-6-16(14)23(17,21)22/h3-8,10-11H,9H2,1-2H3