ethyl 4,7-bis[4-(4-tetradecoxyphenyl)carbonyloxyphenyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4,7-bis[4-(4-tetradecoxyphenyl)carbonyloxyphenyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4,7-bis[4-(4-tetradecoxybenzoyl)oxyphenyl]benzothiophene-2-carboxylate CAS Name: 4,7-bis[4-[oxo-(4-tetradecoxyphenyl)methoxy]phenyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4,7-bis[4-(4-tetradecoxybenzoyl)oxyphenyl]-1-benzothiophene-2-carboxylate Traditional Name: 4,7-bis[4-(4-myristyloxybenzoyl)oxyphenyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C65H82O8S MolecularWeight: 1023.40678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=C4C=C(SC4=C(C=C3)C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)OCCCCCCCCCCCCCC)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=C4C=C(SC4=C(C=C3)C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)OCCCCCCCCCCCCCC)C(=O)OCC

InChI

InChI=1S/C65H82O8S/c1-4-7-9-11-13-15-17-19-21-23-25-27-47-70-54-37-33-52(34-38-54)63(66)72-56-41-29-50(30-42-56)58-45-46-59(62-60(58)49-61(74-62)65(68)69-6-3)51-31-43-57(44-32-51)73-64(67)53-35-39-55(40-36-53)71-48-28-26-24-22-20-18-16-14-12-10-8-5-2/h29-46,49H,4-28,47-48H2,1-3H3