4,5,6,7-tetrakis(4-dodecoxyphenyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4,5,6,7-tetrakis(4-dodecoxyphenyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 4,5,6,7-tetrakis(4-dodecoxyphenyl)benzothiophene-2-carboxylic acid CAS Name: 4,5,6,7-tetrakis(4-dodecoxyphenyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 4,5,6,7-tetrakis(4-dodecoxyphenyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 4,5,6,7-tetrakis(4-lauryloxyphenyl)benzothiophene-2-carboxylic acid Formula: C81H118O6S MolecularWeight: 1219.86502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=C3C=C(SC3=C(C(=C2C4=CC=C(C=C4)OCCCCCCCCCCCC)C5=CC=C(C=C5)OCCCCCCCCCCCC)C6=CC=C(C=C6)OCCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=C3C=C(SC3=C(C(=C2C4=CC=C(C=C4)OCCCCCCCCCCCC)C5=CC=C(C=C5)OCCCCCCCCCCCC)C6=CC=C(C=C6)OCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C81H118O6S/c1-5-9-13-17-21-25-29-33-37-41-61-84-70-53-45-66(46-54-70)76-74-65-75(81(82)83)88-80(74)79(69-51-59-73(60-52-69)87-64-44-40-36-32-28-24-20-16-12-8-4)78(68-49-57-72(58-50-68)86-63-43-39-35-31-27-23-19-15-11-7-3)77(76)67-47-55-71(56-48-67)85-62-42-38-34-30-26-22-18-14-10-6-2/h45-60,65H,5-44,61-64H2,1-4H3,(H,82,83)