1,2-dioctadecylpyrene

Systemtic Name: 1,2-dioctadecylpyrene Openeye Name: 1,2-dioctadecylpyrene CAS Name: 1,2-dioctadecylpyrene IUPAC Name: 1,2-dioctadecylpyrene Traditional Name: 1,2-distearylpyrene Formula: C52H82 MolecularWeight: 707.20748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C52H82/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-47-44-48-41-40-45-37-35-38-46-42-43-50(52(48)51(45)46)49(47)39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35,37-38,40-44H,3-34,36,39H2,1-2H3