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

Systemtic Name: 1,4-bis[5-(5-icosylthiophen-2-yl)thiophen-2-yl]butane-1,4-dione Openeye Name: 1,4-bis[5-(5-icosyl-2-thienyl)-2-thienyl]butane-1,4-dione CAS Name: 1,4-bis[5-(5-eicosyl-2-thiophenyl)-2-thiophenyl]butane-1,4-dione IUPAC Name: 1,4-bis[5-(5-icosylthiophen-2-yl)thiophen-2-yl]butane-1,4-dione Traditional Name: 1,4-bis[5-(5-arachyl-2-thienyl)-2-thienyl]butane-1,4-dione Formula: C60H94O2S4 MolecularWeight: 975.64716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1=CC=C(S1)C2=CC=C(S2)C(=O)CCC(=O)C3=CC=C(S3)C4=CC=C(S4)CCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC1=CC=C(S1)C2=CC=C(S2)C(=O)CCC(=O)C3=CC=C(S3)C4=CC=C(S4)CCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C60H94O2S4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-51-41-45-57(63-51)59-49-47-55(65-59)53(61)43-44-54(62)56-48-50-60(66-56)58-46-42-52(64-58)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41-42,45-50H,3-40,43-44H2,1-2H3