(4-methyl-4-nitro-pentyl) 4-methylbenzenesulfonate

Systemtic Name: (4-methyl-4-nitro-pentyl) 4-methylbenzenesulfonate Openeye Name: (4-methyl-4-nitro-pentyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-methyl-4-nitropentyl) ester IUPAC Name: (4-methyl-4-nitropentyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-methyl-4-nitro-pentyl) ester Formula: C13H19NO5S MolecularWeight: 301.35866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(C)(C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(C)(C)[N+](=O)[O-]

InChI

InChI=1S/C13H19NO5S/c1-11-5-7-12(8-6-11)20(17,18)19-10-4-9-13(2,3)14(15)16/h5-8H,4,9-10H2,1-3H3