2-[6-(4-methylphenyl)sulfanylhexyl]-1,3-benzodioxole

Systemtic Name: 2-[6-(4-methylphenyl)sulfanylhexyl]-1,3-benzodioxole Openeye Name: 2-[6-(p-tolylsulfanyl)hexyl]-1,3-benzodioxole CAS Name: 2-[6-[(4-methylphenyl)thio]hexyl]-1,3-benzodioxole IUPAC Name: 2-[6-(4-methylphenyl)sulfanylhexyl]-1,3-benzodioxole Traditional Name: 2-[6-(p-tolylthio)hexyl]-1,3-benzodioxole Formula: C20H24O2S MolecularWeight: 328.46836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCCCCC2OC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=C(C=C1)SCCCCCCC2OC3=CC=CC=C3O2

InChI

InChI=1S/C20H24O2S/c1-16-11-13-17(14-12-16)23-15-7-3-2-4-10-20-21-18-8-5-6-9-19(18)22-20/h5-6,8-9,11-14,20H,2-4,7,10,15H2,1H3