(6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-phenylsulfanylethanoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-phenylsulfanylethanoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C16H13BrO4S MolecularWeight: 381.24102

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)CSC3=CC=CC=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)CSC3=CC=CC=C3)Br

InChI

InChI=1S/C16H13BrO4S/c17-13-7-15-14(20-10-21-15)6-11(13)8-19-16(18)9-22-12-4-2-1-3-5-12/h1-7H,8-10H2