methyl 4-bromanyl-5-but-3-enylsulfonyl-2-methyl-benzoate

Systemtic Name: methyl 4-bromanyl-5-but-3-enylsulfonyl-2-methyl-benzoate Openeye Name: methyl 4-bromo-5-but-3-enylsulfonyl-2-methyl-benzoate CAS Name: 4-bromo-5-but-3-enylsulfonyl-2-methylbenzoic acid methyl ester IUPAC Name: methyl 4-bromo-5-but-3-enylsulfonyl-2-methylbenzoate Traditional Name: 4-bromo-5-but-3-enylsulfonyl-2-methyl-benzoic acid methyl ester Formula: C13H15BrO4S MolecularWeight: 347.2248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)CCC=C)Br

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)CCC=C)Br

InChI

InChI=1S/C13H15BrO4S/c1-4-5-6-19(16,17)12-8-10(13(15)18-3)9(2)7-11(12)14/h4,7-8H,1,5-6H2,2-3H3