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

Systemtic Name: ethyl 4,5-bis[1-[4-(4-dodecoxyphenyl)carbonyloxyphenyl]ethenyl]thiophene-2-carboxylate Openeye Name: ethyl 4,5-bis[1-[4-(4-dodecoxybenzoyl)oxyphenyl]vinyl]thiophene-2-carboxylate CAS Name: 4,5-bis[1-[4-[(4-dodecoxyphenyl)-oxomethoxy]phenyl]ethenyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-bis[1-[4-(4-dodecoxybenzoyl)oxyphenyl]ethenyl]thiophene-2-carboxylate Traditional Name: 4,5-bis[1-[4-(4-lauryloxybenzoyl)oxyphenyl]vinyl]thiophene-2-carboxylic acid ethyl ester Formula: C61H76O8S MolecularWeight: 969.31634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=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)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=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)OCCCCCCCCCCCC

InChI

InChI=1S/C61H76O8S/c1-6-9-11-13-15-17-19-21-23-25-43-66-52-35-31-50(32-36-52)59(62)68-54-39-27-48(28-40-54)46(4)56-45-57(61(64)65-8-3)70-58(56)47(5)49-29-41-55(42-30-49)69-60(63)51-33-37-53(38-34-51)67-44-26-24-22-20-18-16-14-12-10-7-2/h27-42,45H,4-26,43-44H2,1-3H3