[3-[(2,6-dinitrophenyl)methyl]phenoxy] (2,6-dimethylphenyl)methanesulfinate

Systemtic Name: [3-[(2,6-dinitrophenyl)methyl]phenoxy] (2,6-dimethylphenyl)methanesulfinate Openeye Name: [3-[(2,6-dinitrophenyl)methyl]phenoxy] (2,6-dimethylphenyl)methanesulfinate CAS Name: (2,6-dimethylphenyl)methanesulfinic acid [3-[(2,6-dinitrophenyl)methyl]phenoxy] ester IUPAC Name: [3-[(2,6-dinitrophenyl)methyl]phenoxy] (2,6-dimethylphenyl)methanesulfinate Traditional Name: (2,6-dimethylphenyl)methanesulfinic acid [3-(2,6-dinitrobenzyl)phenoxy] ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CS(=O)OOC2=CC=CC(=C2)CC3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)CS(=O)OOC2=CC=CC(=C2)CC3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O7S/c1-15-6-3-7-16(2)20(15)14-32(29)31-30-18-9-4-8-17(12-18)13-19-21(23(25)26)10-5-11-22(19)24(27)28/h3-12H,13-14H2,1-2H3