2,3,9,10-tetrahexylpentacene

Systemtic Name: 2,3,9,10-tetrahexylpentacene Openeye Name: 2,3,9,10-tetrahexylpentacene CAS Name: 2,3,9,10-tetrahexylpentacene IUPAC Name: 2,3,9,10-tetrahexylpentacene Traditional Name: 2,3,9,10-tetrahexylpentacene Formula: C46H62 MolecularWeight: 614.98448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=CC3=CC4=CC5=CC(=C(C=C5C=C4C=C3C=C2C=C1CCCCCC)CCCCCC)CCCCCC

Isomeric SMILES

CCCCCCC1=CC2=CC3=CC4=CC5=CC(=C(C=C5C=C4C=C3C=C2C=C1CCCCCC)CCCCCC)CCCCCC

InChI

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