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

Systemtic Name: (2-methanoyl-6-methoxy-3-nitro-phenyl) 4-methyl-3-nitro-benzenesulfonate Openeye Name: (2-formyl-6-methoxy-3-nitro-phenyl) 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid (2-formyl-6-methoxy-3-nitrophenyl) ester IUPAC Name: (2-formyl-6-methoxy-3-nitrophenyl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid (2-formyl-6-methoxy-3-nitro-phenyl) ester Formula: C15H12N2O9S MolecularWeight: 396.32878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2C=O)[N+](=O)[O-])OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2C=O)[N+](=O)[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O9S/c1-9-3-4-10(7-13(9)17(21)22)27(23,24)26-15-11(8-18)12(16(19)20)5-6-14(15)25-2/h3-8H,1-2H3