2,9-didodecylpentacene

Systemtic Name: 2,9-didodecylpentacene Openeye Name: 2,9-didodecylpentacene CAS Name: 2,9-didodecylpentacene IUPAC Name: 2,9-didodecylpentacene Traditional Name: 2,9-dilaurylpentacene Formula: C46H62 MolecularWeight: 614.98448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC2=CC3=CC4=C(C=C5C=C(C=CC5=C4)CCCCCCCCCCCC)C=C3C=C2C=C1

Isomeric SMILES

CCCCCCCCCCCCC1=CC2=CC3=CC4=C(C=C5C=C(C=CC5=C4)CCCCCCCCCCCC)C=C3C=C2C=C1

InChI

InChI=1S/C46H62/c1-3-5-7-9-11-13-15-17-19-21-23-37-25-27-39-31-43-36-46-34-42-30-38(24-22-20-18-16-14-12-10-8-6-4-2)26-28-40(42)32-44(46)35-45(43)33-41(39)29-37/h25-36H,3-24H2,1-2H3