1,2-bis[4-[2-(4-phenylsulfanylphenyl)ethynyl]phenyl]ethane-1,2-dione

Systemtic Name: 1,2-bis[4-[2-(4-phenylsulfanylphenyl)ethynyl]phenyl]ethane-1,2-dione Openeye Name: 1,2-bis[4-[2-(4-phenylsulfanylphenyl)ethynyl]phenyl]ethane-1,2-dione CAS Name: 1,2-bis[4-[2-[4-(phenylthio)phenyl]ethynyl]phenyl]ethane-1,2-dione IUPAC Name: 1,2-bis[4-[2-(4-phenylsulfanylphenyl)ethynyl]phenyl]ethane-1,2-dione Traditional Name: 1,2-bis[4-[2-[4-(phenylthio)phenyl]ethynyl]phenyl]ethane-1,2-dione Formula: C42H26O2S2 MolecularWeight: 626.78464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)C#CC3=CC=C(C=C3)C(=O)C(=O)C4=CC=C(C=C4)C#CC5=CC=C(C=C5)SC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)C#CC3=CC=C(C=C3)C(=O)C(=O)C4=CC=C(C=C4)C#CC5=CC=C(C=C5)SC6=CC=CC=C6

InChI

InChI=1S/C42H26O2S2/c43-41(35-23-15-31(16-24-35)11-13-33-19-27-39(28-20-33)45-37-7-3-1-4-8-37)42(44)36-25-17-32(18-26-36)12-14-34-21-29-40(30-22-34)46-38-9-5-2-6-10-38/h1-10,15-30H