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1,2,3,4-tetrahexylpentacene

1,2,3,4-tetrahexylpentacene

Systemtic Name:1,2,3,4-tetrahexylpentacene
Openeye Name:1,2,3,4-tetrahexylpentacene
CAS Name:1,2,3,4-tetrahexylpentacene
IUPAC Name:1,2,3,4-tetrahexylpentacene
Traditional Name:1,2,3,4-tetrahexylpentacene
Formula: C46H62
MolecularWeight: 614.98448
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C2=CC3=CC4=CC5=CC=CC=C5C=C4C=C3C=C21)CCCCCC)CCCCCC)CCCCCC


Isomeric SMILES

CCCCCCC1=C(C(=C(C2=CC3=CC4=CC5=CC=CC=C5C=C4C=C3C=C21)CCCCCC)CCCCCC)CCCCCC


InChI

InChI=1S/C46H62/c1-5-9-13-17-25-41-42(26-18-14-10-6-2)44(28-20-16-12-8-4)46-34-40-32-38-30-36-24-22-21-23-35(36)29-37(38)31-39(40)33-45(46)43(41)27-19-15-11-7-3/h21-24,29-34H,5-20,25-28H2,1-4H3


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