(2,6-dinitrophenyl)methyl 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O7S/c1-10-5-7-11(8-6-10)24(21,22)23-9-12-13(15(17)18)3-2-4-14(12)16(19)20/h2-8H,9H2,1H3