(4-methyl-2-nitro-phenyl) 2-methoxy-5-nitro-benzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 2-methoxy-5-nitro-benzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 2-methoxy-5-nitro-benzenesulfonate CAS Name: 2-methoxy-5-nitrobenzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 2-methoxy-5-nitrobenzenesulfonate Traditional Name: 2-methoxy-5-nitro-benzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C14H12N2O8S MolecularWeight: 368.31868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O8S/c1-9-3-5-12(11(7-9)16(19)20)24-25(21,22)14-8-10(15(17)18)4-6-13(14)23-2/h3-8H,1-2H3