4,7-bis[2-(4-tert-butylsulfanylphenyl)ethynyl]-2-ethoxy-1,3-benzodioxole

Systemtic Name: 4,7-bis[2-(4-tert-butylsulfanylphenyl)ethynyl]-2-ethoxy-1,3-benzodioxole Openeye Name: 4,7-bis[2-(4-tert-butylsulfanylphenyl)ethynyl]-2-ethoxy-1,3-benzodioxole CAS Name: 4,7-bis[2-[4-(tert-butylthio)phenyl]ethynyl]-2-ethoxy-1,3-benzodioxole IUPAC Name: 4,7-bis[2-(4-tert-butylsulfanylphenyl)ethynyl]-2-ethoxy-1,3-benzodioxole Traditional Name: 4,7-bis[2-[4-(tert-butylthio)phenyl]ethynyl]-2-ethoxy-1,3-benzodioxole Formula: C33H34O3S2 MolecularWeight: 542.75126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1OC2=C(C=CC(=C2O1)C#CC3=CC=C(C=C3)SC(C)(C)C)C#CC4=CC=C(C=C4)SC(C)(C)C

Isomeric SMILES

CCOC1OC2=C(C=CC(=C2O1)C#CC3=CC=C(C=C3)SC(C)(C)C)C#CC4=CC=C(C=C4)SC(C)(C)C

InChI

InChI=1S/C33H34O3S2/c1-8-34-31-35-29-25(15-9-23-11-19-27(20-12-23)37-32(2,3)4)17-18-26(30(29)36-31)16-10-24-13-21-28(22-14-24)38-33(5,6)7/h11-14,17-22,31H,8H2,1-7H3