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

Systemtic Name: 4,5,6,7-tetrakis(4-octoxyphenyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 4,5,6,7-tetrakis(4-octoxyphenyl)benzothiophene-2-carboxylic acid CAS Name: 4,5,6,7-tetrakis(4-octoxyphenyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 4,5,6,7-tetrakis(4-octoxyphenyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 4,5,6,7-tetrakis(4-octoxyphenyl)benzothiophene-2-carboxylic acid Formula: C65H86O6S MolecularWeight: 995.43974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C3C=C(SC3=C(C(=C2C4=CC=C(C=C4)OCCCCCCCC)C5=CC=C(C=C5)OCCCCCCCC)C6=CC=C(C=C6)OCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C3C=C(SC3=C(C(=C2C4=CC=C(C=C4)OCCCCCCCC)C5=CC=C(C=C5)OCCCCCCCC)C6=CC=C(C=C6)OCCCCCCCC)C(=O)O

InChI

InChI=1S/C65H86O6S/c1-5-9-13-17-21-25-45-68-54-37-29-50(30-38-54)60-58-49-59(65(66)67)72-64(58)63(53-35-43-57(44-36-53)71-48-28-24-20-16-12-8-4)62(52-33-41-56(42-34-52)70-47-27-23-19-15-11-7-3)61(60)51-31-39-55(40-32-51)69-46-26-22-18-14-10-6-2/h29-44,49H,5-28,45-48H2,1-4H3,(H,66,67)