2-methyl-5-nitro-4-pentoxy-benzenesulfonyl chloride

Systemtic Name: 2-methyl-5-nitro-4-pentoxy-benzenesulfonyl chloride Openeye Name: 2-methyl-5-nitro-4-pentoxy-benzenesulfonyl chloride CAS Name: 2-methyl-5-nitro-4-pentoxybenzenesulfonyl chloride IUPAC Name: 2-methyl-5-nitro-4-pentoxybenzenesulfonyl chloride Traditional Name: 4-amoxy-2-methyl-5-nitro-benzenesulfonyl chloride Formula: C12H16ClNO5S MolecularWeight: 321.77714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C(=C1)C)S(=O)(=O)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=C(C=C(C(=C1)C)S(=O)(=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H16ClNO5S/c1-3-4-5-6-19-11-7-9(2)12(20(13,17)18)8-10(11)14(15)16/h7-8H,3-6H2,1-2H3