6-[5-[2-(2,5-dioctoxy-4-prop-1-ynyl-phenyl)ethynyl]-2-methyl-4-(6-sulfanylhexoxy)phenoxy]hexane-1-thiol

Systemtic Name: 6-[5-[2-(2,5-dioctoxy-4-prop-1-ynyl-phenyl)ethynyl]-2-methyl-4-(6-sulfanylhexoxy)phenoxy]hexane-1-thiol Openeye Name: 6-[5-[2-(2,5-dioctoxy-4-prop-1-ynyl-phenyl)ethynyl]-2-methyl-4-(6-sulfanylhexoxy)phenoxy]hexane-1-thiol CAS Name: 6-[5-[2-(2,5-dioctoxy-4-prop-1-ynylphenyl)ethynyl]-4-(6-mercaptohexoxy)-2-methylphenoxy]-1-hexanethiol IUPAC Name: 6-[5-[2-(2,5-dioctoxy-4-prop-1-ynylphenyl)ethynyl]-2-methyl-4-(6-sulfanylhexoxy)phenoxy]hexane-1-thiol Traditional Name: 6-[5-[2-(2,5-dioctoxy-4-prop-1-ynyl-phenyl)ethynyl]-4-(6-mercaptohexoxy)-2-methyl-phenoxy]hexane-1-thiol Formula: C46H70O4S2 MolecularWeight: 751.1756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1C#CC2=CC(=C(C=C2OCCCCCCS)C)OCCCCCCS)OCCCCCCCC)C#CC

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1C#CC2=CC(=C(C=C2OCCCCCCS)C)OCCCCCCS)OCCCCCCCC)C#CC

InChI

InChI=1S/C46H70O4S2/c1-5-8-10-12-14-20-31-49-45-38-42(46(37-40(45)26-7-3)50-32-21-15-13-11-9-6-2)28-27-41-36-43(47-29-22-16-18-24-33-51)39(4)35-44(41)48-30-23-17-19-25-34-52/h35-38,51-52H,5-6,8-25,29-34H2,1-4H3