2-(1-cyclohexyl-4-phenylsulfanyl-but-2-ynoxy)oxane

Systemtic Name: 2-(1-cyclohexyl-4-phenylsulfanyl-but-2-ynoxy)oxane Openeye Name: 2-(1-cyclohexyl-4-phenylsulfanyl-but-2-ynoxy)tetrahydropyran CAS Name: 2-[1-cyclohexyl-4-(phenylthio)but-2-ynoxy]oxane IUPAC Name: 2-(1-cyclohexyl-4-phenylsulfanylbut-2-ynoxy)oxane Traditional Name: 2-[1-cyclohexyl-4-(phenylthio)but-2-ynoxy]tetrahydropyran Formula: C21H28O2S MolecularWeight: 344.51082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C#CCSC2=CC=CC=C2)OC3CCCCO3

Isomeric SMILES

C1CCC(CC1)C(C#CCSC2=CC=CC=C2)OC3CCCCO3

InChI

InChI=1S/C21H28O2S/c1-3-10-18(11-4-1)20(23-21-15-7-8-16-22-21)14-9-17-24-19-12-5-2-6-13-19/h2,5-6,12-13,18,20-21H,1,3-4,7-8,10-11,15-17H2