4-(2-bromoethylsulfinyl)-3-methyl-benzoic acid

Systemtic Name: 4-(2-bromoethylsulfinyl)-3-methyl-benzoic acid Openeye Name: 4-(2-bromoethylsulfinyl)-3-methyl-benzoic acid CAS Name: 4-(2-bromoethylsulfinyl)-3-methylbenzoic acid IUPAC Name: 4-(2-bromoethylsulfinyl)-3-methylbenzoic acid Traditional Name: 4-(2-bromoethylsulfinyl)-3-methyl-benzoic acid Formula: C10H11BrO3S MolecularWeight: 291.16154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)S(=O)CCBr

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)S(=O)CCBr

InChI

InChI=1S/C10H11BrO3S/c1-7-6-8(10(12)13)2-3-9(7)15(14)5-4-11/h2-3,6H,4-5H2,1H3,(H,12,13)