4-[bis(4-methoxyphenyl)-phenyl-methoxy]-1-[4-(2-pyren-1-ylethynyl)phenyl]butan-2-ol

Systemtic Name: 4-[bis(4-methoxyphenyl)-phenyl-methoxy]-1-[4-(2-pyren-1-ylethynyl)phenyl]butan-2-ol Openeye Name: 4-[bis(4-methoxyphenyl)-phenyl-methoxy]-1-[4-(2-pyren-1-ylethynyl)phenyl]butan-2-ol CAS Name: 4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[4-[2-(1-pyrenyl)ethynyl]phenyl]-2-butanol IUPAC Name: 4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[4-(2-pyren-1-ylethynyl)phenyl]butan-2-ol Traditional Name: 4-[bis(4-methoxyphenyl)-phenyl-methoxy]-1-[4-(2-pyren-1-ylethynyl)phenyl]butan-2-ol Formula: C49H40O4 MolecularWeight: 692.8395

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCCC(CC4=CC=C(C=C4)C#CC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCCC(CC4=CC=C(C=C4)C#CC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)O

InChI

InChI=1S/C49H40O4/c1-51-44-26-22-41(23-27-44)49(40-9-4-3-5-10-40,42-24-28-45(52-2)29-25-42)53-32-31-43(50)33-35-13-11-34(12-14-35)15-16-36-17-18-39-20-19-37-7-6-8-38-21-30-46(36)48(39)47(37)38/h3-14,17-30,43,50H,31-33H2,1-2H3