ethyl 4,5-bis[1-[4-(4-hexadecoxyphenyl)carbonyloxyphenyl]ethenyl]thiophene-2-carboxylate

Systemtic Name: ethyl 4,5-bis[1-[4-(4-hexadecoxyphenyl)carbonyloxyphenyl]ethenyl]thiophene-2-carboxylate Openeye Name: ethyl 4,5-bis[1-[4-(4-hexadecoxybenzoyl)oxyphenyl]vinyl]thiophene-2-carboxylate CAS Name: 4,5-bis[1-[4-[(4-hexadecoxyphenyl)-oxomethoxy]phenyl]ethenyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-bis[1-[4-(4-hexadecoxybenzoyl)oxyphenyl]ethenyl]thiophene-2-carboxylate Traditional Name: 4,5-bis[1-[4-(4-cetyloxybenzoyl)oxyphenyl]vinyl]thiophene-2-carboxylic acid ethyl ester Formula: C69H92O8S MolecularWeight: 1081.52898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=C)C3=C(SC(=C3)C(=O)OCC)C(=C)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=C)C3=C(SC(=C3)C(=O)OCC)C(=C)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C69H92O8S/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-33-51-74-60-43-39-58(40-44-60)67(70)76-62-47-35-56(36-48-62)54(4)64-53-65(69(72)73-8-3)78-66(64)55(5)57-37-49-63(50-38-57)77-68(71)59-41-45-61(46-42-59)75-52-34-32-30-28-26-24-22-20-18-16-14-12-10-7-2/h35-50,53H,4-34,51-52H2,1-3H3