(2-cyclohexyl-4,6-dinitro-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (2-cyclohexyl-4,6-dinitro-phenyl) 4-methylbenzenesulfonate Openeye Name: (2-cyclohexyl-4,6-dinitro-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-cyclohexyl-4,6-dinitrophenyl) ester IUPAC Name: (2-cyclohexyl-4,6-dinitrophenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-cyclohexyl-4,6-dinitro-phenyl) ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2C3CCCCC3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2C3CCCCC3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7S/c1-13-7-9-16(10-8-13)29(26,27)28-19-17(14-5-3-2-4-6-14)11-15(20(22)23)12-18(19)21(24)25/h7-12,14H,2-6H2,1H3