bis[4-(3,4,5-trioctoxyphenoxy)phenyl]methanone

Systemtic Name: bis[4-(3,4,5-trioctoxyphenoxy)phenyl]methanone Openeye Name: bis[4-(3,4,5-trioctoxyphenoxy)phenyl]methanone CAS Name: bis[4-(3,4,5-trioctoxyphenoxy)phenyl]methanone IUPAC Name: bis[4-(3,4,5-trioctoxyphenoxy)phenyl]methanone Traditional Name: bis[4-(3,4,5-trioctoxyphenoxy)phenyl]methanone Formula: C73H114O9 MolecularWeight: 1135.68086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=CC(=C1OCCCCCCCC)OCCCCCCCC)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)OC4=CC(=C(C(=C4)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC(=CC(=C1OCCCCCCCC)OCCCCCCCC)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)OC4=CC(=C(C(=C4)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC

InChI

InChI=1S/C73H114O9/c1-7-13-19-25-31-37-51-75-67-57-65(58-68(76-52-38-32-26-20-14-8-2)72(67)79-55-41-35-29-23-17-11-5)81-63-47-43-61(44-48-63)71(74)62-45-49-64(50-46-62)82-66-59-69(77-53-39-33-27-21-15-9-3)73(80-56-42-36-30-24-18-12-6)70(60-66)78-54-40-34-28-22-16-10-4/h43-50,57-60H,7-42,51-56H2,1-6H3