[2,6-dinitro-4-(4-nitrophenyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2,6-dinitro-4-(4-nitrophenyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2,6-dinitro-4-(4-nitrophenyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,6-dinitro-4-(4-nitrophenyl)phenyl] ester IUPAC Name: [2,6-dinitro-4-(4-nitrophenyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,6-dinitro-4-(4-nitrophenyl)phenyl] ester Formula: C19H13N3O9S MolecularWeight: 459.38622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O9S/c1-12-2-8-16(9-3-12)32(29,30)31-19-17(21(25)26)10-14(11-18(19)22(27)28)13-4-6-15(7-5-13)20(23)24/h2-11H,1H3