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

Systemtic Name: (2-methyl-4,6-dinitro-phenyl) 4-methylbenzenesulfonate Openeye Name: (2-methyl-4,6-dinitro-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-methyl-4,6-dinitrophenyl) ester IUPAC Name: (2-methyl-4,6-dinitrophenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-methyl-4,6-dinitro-phenyl) ester Formula: C14H12N2O7S MolecularWeight: 352.31928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O7S/c1-9-3-5-12(6-4-9)24(21,22)23-14-10(2)7-11(15(17)18)8-13(14)16(19)20/h3-8H,1-2H3