phenyl 4-methyl-3,5-dinitro-benzenesulfonate

Systemtic Name: phenyl 4-methyl-3,5-dinitro-benzenesulfonate Openeye Name: phenyl 4-methyl-3,5-dinitro-benzenesulfonate CAS Name: 4-methyl-3,5-dinitrobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-methyl-3,5-dinitrobenzenesulfonate Traditional Name: 4-methyl-3,5-dinitro-benzenesulfonic acid phenyl ester Formula: C13H10N2O7S MolecularWeight: 338.2927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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