[(E)-3-[(E)-1-phenylsulfanyloct-4-en-1-yn-3-yl]oxyoct-4-en-1-ynyl]sulfanylbenzene

Systemtic Name: [(E)-3-[(E)-1-phenylsulfanyloct-4-en-1-yn-3-yl]oxyoct-4-en-1-ynyl]sulfanylbenzene Openeye Name: [(E)-3-[(E)-1-(2-phenylsulfanylethynyl)hex-2-enoxy]oct-4-en-1-ynyl]sulfanylbenzene CAS Name: [[(E)-3-[(E)-1-(phenylthio)oct-4-en-1-yn-3-yl]oxyoct-4-en-1-ynyl]thio]benzene IUPAC Name: [(E)-3-[(E)-1-phenylsulfanyloct-4-en-1-yn-3-yl]oxyoct-4-en-1-ynyl]sulfanylbenzene Traditional Name: [[(E)-3-[(E)-1-[2-(phenylthio)ethynyl]hex-2-enoxy]oct-4-en-1-ynyl]thio]benzene Formula: C28H30OS2 MolecularWeight: 446.6672

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC(C#CSC1=CC=CC=C1)OC(C=CCCC)C#CSC2=CC=CC=C2

Isomeric SMILES

CCC/C=C/C(OC(C#CSC1=CC=CC=C1)/C=C/CCC)C#CSC2=CC=CC=C2

InChI

InChI=1S/C28H30OS2/c1-3-5-9-15-25(21-23-30-27-17-11-7-12-18-27)29-26(16-10-6-4-2)22-24-31-28-19-13-8-14-20-28/h7-20,25-26H,3-6H2,1-2H3/b15-9+,16-10+