4-bromanyl-5-but-3-enylsulfonyl-2-methyl-benzoic acid

Systemtic Name: 4-bromanyl-5-but-3-enylsulfonyl-2-methyl-benzoic acid Openeye Name: 4-bromo-5-but-3-enylsulfonyl-2-methyl-benzoic acid CAS Name: 4-bromo-5-but-3-enylsulfonyl-2-methylbenzoic acid IUPAC Name: 4-bromo-5-but-3-enylsulfonyl-2-methylbenzoic acid Traditional Name: 4-bromo-5-but-3-enylsulfonyl-2-methyl-benzoic acid Formula: C12H13BrO4S MolecularWeight: 333.19822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrO4S/c1-3-4-5-18(16,17)11-7-9(12(14)15)8(2)6-10(11)13/h3,6-7H,1,4-5H2,2H3,(H,14,15)