2,5-bis[5-[5-(3,4-dioctyl-5-thiophen-2-yl-thiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3,4-dioctyl-thiophene

Systemtic Name: 2,5-bis[5-[5-(3,4-dioctyl-5-thiophen-2-yl-thiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3,4-dioctyl-thiophene Openeye Name: 2,5-bis[5-[5-[3,4-dioctyl-5-(2-thienyl)-2-thienyl]-2-thienyl]-2-thienyl]-3,4-dioctyl-thiophene CAS Name: 2,5-bis[5-[5-(3,4-dioctyl-5-thiophen-2-yl-2-thiophenyl)-2-thiophenyl]-2-thiophenyl]-3,4-dioctylthiophene IUPAC Name: 2,5-bis[5-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3,4-dioctylthiophene Traditional Name: 2,5-bis[5-[5-[3,4-dioctyl-5-(2-thienyl)-2-thienyl]-2-thienyl]-2-thienyl]-3,4-dioctyl-thiophene Formula: C84H116S9 MolecularWeight: 1414.40484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(SC(=C1CCCCCCCC)C2=CC=C(S2)C3=CC=C(S3)C4=C(C(=C(S4)C5=CC=C(S5)C6=CC=C(S6)C7=C(C(=C(S7)C8=CC=CS8)CCCCCCCC)CCCCCCCC)CCCCCCCC)CCCCCCCC)C9=CC=CS9

Isomeric SMILES

CCCCCCCCC1=C(SC(=C1CCCCCCCC)C2=CC=C(S2)C3=CC=C(S3)C4=C(C(=C(S4)C5=CC=C(S5)C6=CC=C(S6)C7=C(C(=C(S7)C8=CC=CS8)CCCCCCCC)CCCCCCCC)CCCCCCCC)CCCCCCCC)C9=CC=CS9

InChI

InChI=1S/C84H116S9/c1-7-13-19-25-31-37-45-63-65(47-39-33-27-21-15-9-3)81(91-79(63)73-51-43-61-85-73)75-57-53-69(87-75)71-55-59-77(89-71)83-67(49-41-35-29-23-17-11-5)68(50-42-36-30-24-18-12-6)84(93-83)78-60-56-72(90-78)70-54-58-76(88-70)82-66(48-40-34-28-22-16-10-4)64(46-38-32-26-20-14-8-2)80(92-82)74-52-44-62-86-74/h43-44,51-62H,7-42,45-50H2,1-6H3