1-[3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanylmethyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[(6-bromo-1,3-benzodioxol-5-yl)methylthio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[(6-bromo-1,3-benzodioxol-5-yl)methylthio]methyl]-4-methoxy-phenyl]ethanone Formula: C18H17BrO4S MolecularWeight: 409.29418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C18H17BrO4S/c1-11(20)12-3-4-16(21-2)14(5-12)9-24-8-13-6-17-18(7-15(13)19)23-10-22-17/h3-7H,8-10H2,1-2H3