(3,5-dinitrophenyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (3,5-dinitrophenyl)methyl 4-methylbenzenesulfonate Openeye Name: (3,5-dinitrophenyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3,5-dinitrophenyl)methyl ester IUPAC Name: (3,5-dinitrophenyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3,5-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=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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