1,2-bis[4-(3,4-dioctoxyphenyl)phenyl]ethane-1,2-dione

Systemtic Name: 1,2-bis[4-(3,4-dioctoxyphenyl)phenyl]ethane-1,2-dione Openeye Name: 1,2-bis[4-(3,4-dioctoxyphenyl)phenyl]ethane-1,2-dione CAS Name: 1,2-bis[4-(3,4-dioctoxyphenyl)phenyl]ethane-1,2-dione IUPAC Name: 1,2-bis[4-(3,4-dioctoxyphenyl)phenyl]ethane-1,2-dione Traditional Name: 1,2-bis[4-(3,4-dioctoxyphenyl)phenyl]ethane-1,2-dione Formula: C58H82O6 MolecularWeight: 875.26808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)C(=O)C3=CC=C(C=C3)C4=CC(=C(C=C4)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)C(=O)C3=CC=C(C=C3)C4=CC(=C(C=C4)OCCCCCCCC)OCCCCCCCC)OCCCCCCCC

InChI

InChI=1S/C58H82O6/c1-5-9-13-17-21-25-41-61-53-39-37-51(45-55(53)63-43-27-23-19-15-11-7-3)47-29-33-49(34-30-47)57(59)58(60)50-35-31-48(32-36-50)52-38-40-54(62-42-26-22-18-14-10-6-2)56(46-52)64-44-28-24-20-16-12-8-4/h29-40,45-46H,5-28,41-44H2,1-4H3