4-bromanyl-3-(oxan-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 4-bromanyl-3-(oxan-2-ylmethylsulfonyl)benzoic acid Openeye Name: 4-bromo-3-(tetrahydropyran-2-ylmethylsulfonyl)benzoic acid CAS Name: 4-bromo-3-(2-oxanylmethylsulfonyl)benzoic acid IUPAC Name: 4-bromo-3-(oxan-2-ylmethylsulfonyl)benzoic acid Traditional Name: 4-bromo-3-(tetrahydropyran-2-ylmethylsulfonyl)benzoic acid Formula: C13H15BrO5S MolecularWeight: 363.2242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

Isomeric SMILES

C1CCOC(C1)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C13H15BrO5S/c14-11-5-4-9(13(15)16)7-12(11)20(17,18)8-10-3-1-2-6-19-10/h4-5,7,10H,1-3,6,8H2,(H,15,16)