(3,5-dimethyl-2,4,6-trinitro-phenyl) benzenesulfonate

Systemtic Name: (3,5-dimethyl-2,4,6-trinitro-phenyl) benzenesulfonate Openeye Name: (3,5-dimethyl-2,4,6-trinitro-phenyl) benzenesulfonate CAS Name: benzenesulfonic acid (3,5-dimethyl-2,4,6-trinitrophenyl) ester IUPAC Name: (3,5-dimethyl-2,4,6-trinitrophenyl) benzenesulfonate Traditional Name: benzenesulfonic acid (3,5-dimethyl-2,4,6-trinitro-phenyl) ester Formula: C14H11N3O9S MolecularWeight: 397.31684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O9S/c1-8-11(15(18)19)9(2)13(17(22)23)14(12(8)16(20)21)26-27(24,25)10-6-4-3-5-7-10/h3-7H,1-2H3