[4-[2-[4-(4-pyren-1-ylbutanoyloxy)phenyl]propan-2-yl]phenyl] 4-pyren-1-ylbutanoate

Systemtic Name: [4-[2-[4-(4-pyren-1-ylbutanoyloxy)phenyl]propan-2-yl]phenyl] 4-pyren-1-ylbutanoate Openeye Name: [4-[1-methyl-1-[4-(4-pyren-1-ylbutanoyloxy)phenyl]ethyl]phenyl] 4-pyren-1-ylbutanoate CAS Name: 4-(1-pyrenyl)butanoic acid [4-[2-[4-[1-oxo-4-(1-pyrenyl)butoxy]phenyl]propan-2-yl]phenyl] ester IUPAC Name: [4-[2-[4-(4-pyren-1-ylbutanoyloxy)phenyl]propan-2-yl]phenyl] 4-pyren-1-ylbutanoate Traditional Name: 4-pyren-1-ylbutyric acid [4-[1-methyl-1-[4-(4-pyren-1-ylbutanoyloxy)phenyl]ethyl]phenyl] ester Formula: C55H44O4 MolecularWeight: 768.93546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)OC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=CC=C(C=C6)OC(=O)CCCC7=C8C=CC9=CC=CC1=C9C8=C(C=C1)C=C7

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)OC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=CC=C(C=C6)OC(=O)CCCC7=C8C=CC9=CC=CC1=C9C8=C(C=C1)C=C7

InChI

InChI=1S/C55H44O4/c1-55(2,43-25-29-45(30-26-43)58-49(56)13-5-7-35-15-17-41-21-19-37-9-3-11-39-23-33-47(35)53(41)51(37)39)44-27-31-46(32-28-44)59-50(57)14-6-8-36-16-18-42-22-20-38-10-4-12-40-24-34-48(36)54(42)52(38)40/h3-4,9-12,15-34H,5-8,13-14H2,1-2H3