1,4-bis[4-[4-(3-bromanyl-5-methyl-phenoxy)phenyl]sulfonylphenoxy]-2-methyl-benzene

Systemtic Name: 1,4-bis[4-[4-(3-bromanyl-5-methyl-phenoxy)phenyl]sulfonylphenoxy]-2-methyl-benzene Openeye Name: 1,4-bis[4-[4-(3-bromo-5-methyl-phenoxy)phenyl]sulfonylphenoxy]-2-methyl-benzene CAS Name: 1,4-bis[4-[4-(3-bromo-5-methylphenoxy)phenyl]sulfonylphenoxy]-2-methylbenzene IUPAC Name: 1,4-bis[4-[4-(3-bromo-5-methylphenoxy)phenyl]sulfonylphenoxy]-2-methylbenzene Traditional Name: 1,4-bis[4-[4-(3-bromo-5-methyl-phenoxy)phenyl]sulfonylphenoxy]-2-methyl-benzene Formula: C45H34Br2O8S2 MolecularWeight: 926.68466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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