3-[4-[3,5-dimethyl-4-(4-nitro-3-oxidanyl-phenoxy)phenyl]sulfonylphenoxy]-2,4-dimethyl-6-nitro-phenol

Systemtic Name: 3-[4-[3,5-dimethyl-4-(4-nitro-3-oxidanyl-phenoxy)phenyl]sulfonylphenoxy]-2,4-dimethyl-6-nitro-phenol Openeye Name: 3-[4-[4-(3-hydroxy-4-nitro-phenoxy)-3,5-dimethyl-phenyl]sulfonylphenoxy]-2,4-dimethyl-6-nitro-phenol CAS Name: 3-[4-[4-(3-hydroxy-4-nitrophenoxy)-3,5-dimethylphenyl]sulfonylphenoxy]-2,4-dimethyl-6-nitrophenol IUPAC Name: 3-[4-[4-(3-hydroxy-4-nitrophenoxy)-3,5-dimethylphenyl]sulfonylphenoxy]-2,4-dimethyl-6-nitrophenol Traditional Name: 3-[4-[4-(3-hydroxy-4-nitro-phenoxy)-3,5-dimethyl-phenyl]sulfonylphenoxy]-2,4-dimethyl-6-nitro-phenol Formula: C28H24N2O10S MolecularWeight: 580.56256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)[N+](=O)[O-])O)C)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=C(C=C4C)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)[N+](=O)[O-])O)C)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=C(C=C4C)[N+](=O)[O-])O)C

InChI

InChI=1S/C28H24N2O10S/c1-15-11-22(12-16(2)27(15)40-20-7-10-23(29(33)34)25(31)14-20)41(37,38)21-8-5-19(6-9-21)39-28-17(3)13-24(30(35)36)26(32)18(28)4/h5-14,31-32H,1-4H3