2,8-bis[2-(8-ethynyldibenzothiophen-2-yl)ethynyl]dibenzothiophene 5,5-dioxide

Systemtic Name: 2,8-bis[2-(8-ethynyldibenzothiophen-2-yl)ethynyl]dibenzothiophene 5,5-dioxide Openeye Name: 2,8-bis[2-(8-ethynyldibenzothiophen-2-yl)ethynyl]dibenzothiophene 5,5-dioxide CAS Name: 2,8-bis[2-(8-ethynyl-2-dibenzothiophenyl)ethynyl]dibenzothiophene 5,5-dioxide IUPAC Name: 2,8-bis[2-(8-ethynyldibenzothiophen-2-yl)ethynyl]dibenzothiophene 5,5-dioxide Traditional Name: 2,8-bis[2-(8-ethynyldibenzothiophen-2-yl)ethynyl]dibenzothiophene 5,5-dioxide Formula: C44H20O2S3 MolecularWeight: 676.8234

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1)SC3=C2C=C(C=C3)C#CC4=CC5=C(C=C4)S(=O)(=O)C6=C5C=C(C=C6)C#CC7=CC8=C(C=C7)SC9=C8C=C(C=C9)C#C

Isomeric SMILES

C#CC1=CC2=C(C=C1)SC3=C2C=C(C=C3)C#CC4=CC5=C(C=C4)S(=O)(=O)C6=C5C=C(C=C6)C#CC7=CC8=C(C=C7)SC9=C8C=C(C=C9)C#C

InChI

InChI=1S/C44H20O2S3/c1-3-27-9-15-39-33(21-27)35-23-29(11-17-41(35)47-39)5-7-31-13-19-43-37(25-31)38-26-32(14-20-44(38)49(43,45)46)8-6-30-12-18-42-36(24-30)34-22-28(4-2)10-16-40(34)48-42/h1-2,9-26H