methyl 4,7-bis(4-octadecanoyloxyphenyl)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4,7-bis(4-octadecanoyloxyphenyl)-1-benzothiophene-2-carboxylate Openeye Name: methyl 4,7-bis(4-octadecanoyloxyphenyl)benzothiophene-2-carboxylate CAS Name: 4,7-bis[4-(1-oxooctadecoxy)phenyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4,7-bis(4-octadecanoyloxyphenyl)-1-benzothiophene-2-carboxylate Traditional Name: 4,7-bis(4-stearoyloxyphenyl)benzothiophene-2-carboxylic acid methyl ester Formula: C58H84O6S MolecularWeight: 909.34896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=C3C=C(SC3=C(C=C2)C4=CC=C(C=C4)OC(=O)CCCCCCCCCCCCCCCCC)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=C3C=C(SC3=C(C=C2)C4=CC=C(C=C4)OC(=O)CCCCCCCCCCCCCCCCC)C(=O)OC

InChI

InChI=1S/C58H84O6S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-55(59)63-49-40-36-47(37-41-49)51-44-45-52(57-53(51)46-54(65-57)58(61)62-3)48-38-42-50(43-39-48)64-56(60)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36-46H,4-35H2,1-3H3