3,6-bis[2-(4-tert-butylsulfanylphenyl)ethynyl]benzene-1,2-diol

Systemtic Name: 3,6-bis[2-(4-tert-butylsulfanylphenyl)ethynyl]benzene-1,2-diol Openeye Name: 3,6-bis[2-(4-tert-butylsulfanylphenyl)ethynyl]benzene-1,2-diol CAS Name: 3,6-bis[2-[4-(tert-butylthio)phenyl]ethynyl]benzene-1,2-diol IUPAC Name: 3,6-bis[2-(4-tert-butylsulfanylphenyl)ethynyl]benzene-1,2-diol Traditional Name: 3,6-bis[2-[4-(tert-butylthio)phenyl]ethynyl]pyrocatechol Formula: C30H30O2S2 MolecularWeight: 486.688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=C(C=C1)C#CC2=C(C(=C(C=C2)C#CC3=CC=C(C=C3)SC(C)(C)C)O)O

Isomeric SMILES

CC(C)(C)SC1=CC=C(C=C1)C#CC2=C(C(=C(C=C2)C#CC3=CC=C(C=C3)SC(C)(C)C)O)O

InChI

InChI=1S/C30H30O2S2/c1-29(2,3)33-25-17-9-21(10-18-25)7-13-23-15-16-24(28(32)27(23)31)14-8-22-11-19-26(20-12-22)34-30(4,5)6/h9-12,15-20,31-32H,1-6H3