1,3-bis[4-[4-(4-bromanyl-2-methyl-phenoxy)phenyl]sulfonylphenoxy]-2-methyl-benzene

Systemtic Name: 1,3-bis[4-[4-(4-bromanyl-2-methyl-phenoxy)phenyl]sulfonylphenoxy]-2-methyl-benzene Openeye Name: 1,3-bis[4-[4-(4-bromo-2-methyl-phenoxy)phenyl]sulfonylphenoxy]-2-methyl-benzene CAS Name: 1,3-bis[4-[4-(4-bromo-2-methylphenoxy)phenyl]sulfonylphenoxy]-2-methylbenzene IUPAC Name: 1,3-bis[4-[4-(4-bromo-2-methylphenoxy)phenyl]sulfonylphenoxy]-2-methylbenzene Traditional Name: 1,3-bis[4-[4-(4-bromo-2-methyl-phenoxy)phenyl]sulfonylphenoxy]-2-methyl-benzene Formula: C45H34Br2O8S2 MolecularWeight: 926.68466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=CC=C4)OC5=CC=C(C=C5)S(=O)(=O)C6=CC=C(C=C6)OC7=C(C=C(C=C7)Br)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=CC=C4)OC5=CC=C(C=C5)S(=O)(=O)C6=CC=C(C=C6)OC7=C(C=C(C=C7)Br)C)C

InChI

InChI=1S/C45H34Br2O8S2/c1-29-27-32(46)7-25-42(29)52-34-9-17-38(18-10-34)56(48,49)40-21-13-36(14-22-40)54-44-5-4-6-45(31(44)3)55-37-15-23-41(24-16-37)57(50,51)39-19-11-35(12-20-39)53-43-26-8-33(47)28-30(43)2/h4-28H,1-3H3