5,7,12,14-tetrakis(4-butylphenyl)pentacene

Systemtic Name: 5,7,12,14-tetrakis(4-butylphenyl)pentacene Openeye Name: 5,7,12,14-tetrakis(4-butylphenyl)pentacene CAS Name: 5,7,12,14-tetrakis(4-butylphenyl)pentacene IUPAC Name: 5,7,12,14-tetrakis(4-butylphenyl)pentacene Traditional Name: 5,7,12,14-tetrakis(4-butylphenyl)pentacene Formula: C62H62 MolecularWeight: 807.15568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC5=C(C6=CC=CC=C6C(=C5C=C42)C7=CC=C(C=C7)CCCC)C8=CC=C(C=C8)CCCC)C9=CC=C(C=C9)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC5=C(C6=CC=CC=C6C(=C5C=C42)C7=CC=C(C=C7)CCCC)C8=CC=C(C=C8)CCCC)C9=CC=C(C=C9)CCCC

InChI

InChI=1S/C62H62/c1-5-9-17-43-25-33-47(34-26-43)59-51-21-13-14-22-52(51)60(48-35-27-44(28-36-48)18-10-6-2)56-42-58-57(41-55(56)59)61(49-37-29-45(30-38-49)19-11-7-3)53-23-15-16-24-54(53)62(58)50-39-31-46(32-40-50)20-12-8-4/h13-16,21-42H,5-12,17-20H2,1-4H3