2-(7-phenethylsulfanylheptyl)oxane

Systemtic Name: 2-(7-phenethylsulfanylheptyl)oxane Openeye Name: 2-(7-phenethylsulfanylheptyl)tetrahydropyran CAS Name: 2-[7-(phenethylthio)heptyl]oxane IUPAC Name: 2-(7-phenethylsulfanylheptyl)oxane Traditional Name: 2-[7-(phenethylthio)heptyl]tetrahydropyran Formula: C20H32OS MolecularWeight: 320.53248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CCCCCCCSCCC2=CC=CC=C2

Isomeric SMILES

C1CCOC(C1)CCCCCCCSCCC2=CC=CC=C2

InChI

InChI=1S/C20H32OS/c1(2-7-13-20-14-8-9-16-21-20)3-10-17-22-18-15-19-11-5-4-6-12-19/h4-6,11-12,20H,1-3,7-10,13-18H2