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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC=C2OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)OC5=C(C(=CC=C5)Br)C6=CC=CC=C6)OC7=CC=C(C=C7)S(=O)(=O)C8=CC=C(C=C8)OC9=C(C(=CC=C9)Br)C1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC=C2OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)OC5=C(C(=CC=C5)Br)C6=CC=CC=C6)OC7=CC=C(C=C7)S(=O)(=O)C8=CC=C(C=C8)OC9=C(C(=CC=C9)Br)C1=CC=CC=C1

InChI

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