5-[6-bromanyl-1-(4-methylphenyl)sulfanyl-hexyl]-1,3-benzodioxole

Systemtic Name: 5-[6-bromanyl-1-(4-methylphenyl)sulfanyl-hexyl]-1,3-benzodioxole Openeye Name: 5-[6-bromo-1-(p-tolylsulfanyl)hexyl]-1,3-benzodioxole CAS Name: 5-[6-bromo-1-[(4-methylphenyl)thio]hexyl]-1,3-benzodioxole IUPAC Name: 5-[6-bromo-1-(4-methylphenyl)sulfanylhexyl]-1,3-benzodioxole Traditional Name: 5-[6-bromo-1-(p-tolylthio)hexyl]-1,3-benzodioxole Formula: C20H23BrO2S MolecularWeight: 407.36442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCBr)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCBr)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H23BrO2S/c1-15-6-9-17(10-7-15)24-20(5-3-2-4-12-21)16-8-11-18-19(13-16)23-14-22-18/h6-11,13,20H,2-5,12,14H2,1H3