methyl 4-bromanyl-2-(prop-2-enylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-bromanyl-2-(prop-2-enylsulfanylmethyl)benzoate Openeye Name: methyl 2-(allylsulfanylmethyl)-4-bromo-benzoate CAS Name: 4-bromo-2-[(prop-2-enylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-bromo-2-(prop-2-enylsulfanylmethyl)benzoate Traditional Name: 2-[(allylthio)methyl]-4-bromo-benzoic acid methyl ester Formula: C12H13BrO2S MolecularWeight: 301.19942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Br)CSCC=C

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Br)CSCC=C

InChI

InChI=1S/C12H13BrO2S/c1-3-6-16-8-9-7-10(13)4-5-11(9)12(14)15-2/h3-5,7H,1,6,8H2,2H3