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

Systemtic Name: 1,3-bis[4-[4-(3-bromanyl-5-methyl-phenoxy)phenyl]sulfonylphenoxy]-2-methyl-benzene Openeye Name: 1,3-bis[4-[4-(3-bromo-5-methyl-phenoxy)phenyl]sulfonylphenoxy]-2-methyl-benzene CAS Name: 1,3-bis[4-[4-(3-bromo-5-methylphenoxy)phenyl]sulfonylphenoxy]-2-methylbenzene IUPAC Name: 1,3-bis[4-[4-(3-bromo-5-methylphenoxy)phenyl]sulfonylphenoxy]-2-methylbenzene Traditional Name: 1,3-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=C(C(=CC=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=C(C(=CC=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/c1-29-23-32(46)27-38(25-29)52-34-7-15-40(16-8-34)56(48,49)42-19-11-36(12-20-42)54-44-5-4-6-45(31(44)3)55-37-13-21-43(22-14-37)57(50,51)41-17-9-35(10-18-41)53-39-26-30(2)24-33(47)28-39/h4-28H,1-3H3