2-[1,1-bis(2-octylthiophen-3-yl)octyl]-3,4,5-tris(2-octylthiophen-3-yl)thiophene

Systemtic Name: 2-[1,1-bis(2-octylthiophen-3-yl)octyl]-3,4,5-tris(2-octylthiophen-3-yl)thiophene Openeye Name: 2-[1,1-bis(2-octyl-3-thienyl)octyl]-3,4,5-tris(2-octyl-3-thienyl)thiophene CAS Name: 2-[1,1-bis(2-octyl-3-thiophenyl)octyl]-3,4,5-tris(2-octyl-3-thiophenyl)thiophene IUPAC Name: 2-[1,1-bis(2-octylthiophen-3-yl)octyl]-3,4,5-tris(2-octylthiophen-3-yl)thiophene Traditional Name: 2-[1,1-bis(2-octyl-3-thienyl)octyl]-3,4,5-tris(2-octyl-3-thienyl)thiophene Formula: C72H110S6 MolecularWeight: 1168.0338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CS1)C2=C(SC(=C2C3=C(SC=C3)CCCCCCCC)C(CCCCCCC)(C4=C(SC=C4)CCCCCCCC)C5=C(SC=C5)CCCCCCCC)C6=C(SC=C6)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C=CS1)C2=C(SC(=C2C3=C(SC=C3)CCCCCCCC)C(CCCCCCC)(C4=C(SC=C4)CCCCCCCC)C5=C(SC=C5)CCCCCCCC)C6=C(SC=C6)CCCCCCCC

InChI

InChI=1S/C72H110S6/c1-7-13-19-25-30-36-42-63-58(47-53-73-63)68-69(59-48-54-74-64(59)43-37-31-26-20-14-8-2)71(78-70(68)60-49-55-75-65(60)44-38-32-27-21-15-9-3)72(52-41-35-24-18-12-6,61-50-56-76-66(61)45-39-33-28-22-16-10-4)62-51-57-77-67(62)46-40-34-29-23-17-11-5/h47-51,53-57H,7-46,52H2,1-6H3