1,4-bis[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]butane-1,4-dione

Systemtic Name: 1,4-bis[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]butane-1,4-dione Openeye Name: 1,4-bis[5-[5-(5-dodecyl-2-thienyl)-2-thienyl]-2-thienyl]butane-1,4-dione CAS Name: 1,4-bis[5-[5-(5-dodecyl-2-thiophenyl)-2-thiophenyl]-2-thiophenyl]butane-1,4-dione IUPAC Name: 1,4-bis[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]butane-1,4-dione Traditional Name: 1,4-bis[5-[5-(5-lauryl-2-thienyl)-2-thienyl]-2-thienyl]butane-1,4-dione Formula: C52H66O2S6 MolecularWeight: 915.46924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(S1)C2=CC=C(S2)C3=CC=C(S3)C(=O)CCC(=O)C4=CC=C(S4)C5=CC=C(S5)C6=CC=C(S6)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(S1)C2=CC=C(S2)C3=CC=C(S3)C(=O)CCC(=O)C4=CC=C(S4)C5=CC=C(S5)C6=CC=C(S6)CCCCCCCCCCCC

InChI

InChI=1S/C52H66O2S6/c1-3-5-7-9-11-13-15-17-19-21-23-39-25-29-45(55-39)47-35-37-51(59-47)49-33-31-43(57-49)41(53)27-28-42(54)44-32-34-50(58-44)52-38-36-48(60-52)46-30-26-40(56-46)24-22-20-18-16-14-12-10-8-6-4-2/h25-26,29-38H,3-24,27-28H2,1-2H3