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

Systemtic Name: ethyl 4,7-bis[4-(4-decoxyphenyl)carbonyloxyphenyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4,7-bis[4-(4-decoxybenzoyl)oxyphenyl]benzothiophene-2-carboxylate CAS Name: 4,7-bis[4-[(4-decoxyphenyl)-oxomethoxy]phenyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4,7-bis[4-(4-decoxybenzoyl)oxyphenyl]-1-benzothiophene-2-carboxylate Traditional Name: 4,7-bis[4-(4-decoxybenzoyl)oxyphenyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C57H66O8S MolecularWeight: 911.19414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=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)OCCCCCCCCCC)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCOC1=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)OCCCCCCCCCC)C(=O)OCC

InChI

InChI=1S/C57H66O8S/c1-4-7-9-11-13-15-17-19-39-62-46-29-25-44(26-30-46)55(58)64-48-33-21-42(22-34-48)50-37-38-51(54-52(50)41-53(66-54)57(60)61-6-3)43-23-35-49(36-24-43)65-56(59)45-27-31-47(32-28-45)63-40-20-18-16-14-12-10-8-5-2/h21-38,41H,4-20,39-40H2,1-3H3