2-[15-(phenylmethylsulfanyl)pentadecyl]oxane

Systemtic Name: 2-[15-(phenylmethylsulfanyl)pentadecyl]oxane Openeye Name: 2-(15-benzylsulfanylpentadecyl)tetrahydropyran CAS Name: 2-[15-(phenylmethylthio)pentadecyl]oxane IUPAC Name: 2-(15-benzylsulfanylpentadecyl)oxane Traditional Name: 2-[15-(benzylthio)pentadecyl]tetrahydropyran Formula: C27H46OS MolecularWeight: 418.71854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CCCCCCCCCCCCCCCSCC2=CC=CC=C2

Isomeric SMILES

C1CCOC(C1)CCCCCCCCCCCCCCCSCC2=CC=CC=C2

InChI

InChI=1S/C27H46OS/c1(2-4-6-8-10-15-21-27-22-16-17-23-28-27)3-5-7-9-11-18-24-29-25-26-19-13-12-14-20-26/h12-14,19-20,27H,1-11,15-18,21-25H2