(2-methanoyl-6-methoxy-3,5-dinitro-phenyl) 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: (2-methanoyl-6-methoxy-3,5-dinitro-phenyl) 4-methyl-3-nitro-benzenesulfonate Openeye Name: (2-formyl-6-methoxy-3,5-dinitro-phenyl) 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid (2-formyl-6-methoxy-3,5-dinitrophenyl) ester IUPAC Name: (2-formyl-6-methoxy-3,5-dinitrophenyl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid (2-formyl-6-methoxy-3,5-dinitro-phenyl) ester Formula: C15H11N3O11S MolecularWeight: 441.32634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C(=CC(=C2OC)[N+](=O)[O-])[N+](=O)[O-])C=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C(=CC(=C2OC)[N+](=O)[O-])[N+](=O)[O-])C=O)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O11S/c1-8-3-4-9(5-11(8)16(20)21)30(26,27)29-14-10(7-19)12(17(22)23)6-13(18(24)25)15(14)28-2/h3-7H,1-2H3