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

Systemtic Name: 1,3-bis[4-[4-(4-bromanyl-2-phenyl-phenoxy)phenyl]sulfonylphenoxy]-2-phenyl-benzene Openeye Name: 1,3-bis[4-[4-(4-bromo-2-phenyl-phenoxy)phenyl]sulfonylphenoxy]-2-phenyl-benzene CAS Name: 1,3-bis[4-[4-(4-bromo-2-phenylphenoxy)phenyl]sulfonylphenoxy]-2-phenylbenzene IUPAC Name: 1,3-bis[4-[4-(4-bromo-2-phenylphenoxy)phenyl]sulfonylphenoxy]-2-phenylbenzene Traditional Name: 1,3-bis[4-[4-(4-bromo-2-phenyl-phenoxy)phenyl]sulfonylphenoxy]-2-phenyl-benzene Formula: C60H40Br2O8S2 MolecularWeight: 1112.8928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)Br)OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)OC5=C(C(=CC=C5)OC6=CC=C(C=C6)S(=O)(=O)C7=CC=C(C=C7)OC8=C(C=C(C=C8)Br)C9=CC=CC=C9)C1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)Br)OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)OC5=C(C(=CC=C5)OC6=CC=C(C=C6)S(=O)(=O)C7=CC=C(C=C7)OC8=C(C=C(C=C8)Br)C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C60H40Br2O8S2/c61-44-19-37-56(54(39-44)41-11-4-1-5-12-41)67-46-21-29-50(30-22-46)71(63,64)52-33-25-48(26-34-52)69-58-17-10-18-59(60(58)43-15-8-3-9-16-43)70-49-27-35-53(36-28-49)72(65,66)51-31-23-47(24-32-51)68-57-38-20-45(62)40-55(57)42-13-6-2-7-14-42/h1-40H