2,6-bis[(4-methylphenyl)sulfonylmethyl]-4-nitro-phenol

Systemtic Name: 2,6-bis[(4-methylphenyl)sulfonylmethyl]-4-nitro-phenol Openeye Name: 4-nitro-2,6-bis(p-tolylsulfonylmethyl)phenol CAS Name: 2,6-bis[(4-methylphenyl)sulfonylmethyl]-4-nitrophenol IUPAC Name: 2,6-bis[(4-methylphenyl)sulfonylmethyl]-4-nitrophenol Traditional Name: 4-nitro-2,6-bis(tosylmethyl)phenol Formula: C22H21NO7S2 MolecularWeight: 475.53464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC(=CC(=C2O)CS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC(=CC(=C2O)CS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21NO7S2/c1-15-3-7-20(8-4-15)31(27,28)13-17-11-19(23(25)26)12-18(22(17)24)14-32(29,30)21-9-5-16(2)6-10-21/h3-12,24H,13-14H2,1-2H3