(2,6-dinitrophenyl) 4-methylbenzenesulfonate

Systemtic Name: (2,6-dinitrophenyl) 4-methylbenzenesulfonate Openeye Name: (2,6-dinitrophenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,6-dinitrophenyl) ester IUPAC Name: (2,6-dinitrophenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,6-dinitrophenyl) ester Formula: C13H10N2O7S MolecularWeight: 338.2927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O7S/c1-9-5-7-10(8-6-9)23(20,21)22-13-11(14(16)17)3-2-4-12(13)15(18)19/h2-8H,1H3