(3,5-dinitrophenyl) 3,5-dimethylbenzenesulfinate

Systemtic Name: (3,5-dinitrophenyl) 3,5-dimethylbenzenesulfinate Openeye Name: (3,5-dinitrophenyl) 3,5-dimethylbenzenesulfinate CAS Name: 3,5-dimethylbenzenesulfinic acid (3,5-dinitrophenyl) ester IUPAC Name: (3,5-dinitrophenyl) 3,5-dimethylbenzenesulfinate Traditional Name: 3,5-dimethylbenzenesulfinic acid (3,5-dinitrophenyl) ester Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O6S/c1-9-3-10(2)5-14(4-9)23(21)22-13-7-11(15(17)18)6-12(8-13)16(19)20/h3-8H,1-2H3