1,2,3,4-tetraoctadecylpyrene

Systemtic Name: 1,2,3,4-tetraoctadecylpyrene Openeye Name: 1,2,3,4-tetraoctadecylpyrene CAS Name: 1,2,3,4-tetraoctadecylpyrene IUPAC Name: 1,2,3,4-tetraoctadecylpyrene Traditional Name: 1,2,3,4-tetrastearylpyrene Formula: C88H154 MolecularWeight: 1212.16436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC2=CC=CC3=C2C4=C(C=C3)C(=C(C(=C14)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC2=CC=CC3=C2C4=C(C=C3)C(=C(C(=C14)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C88H154/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-70-81-78-80-72-69-71-79-76-77-85-83(74-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)82(73-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)84(87(81)88(85)86(79)80)75-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h69,71-72,76-78H,5-68,70,73-75H2,1-4H3