4-(3-bromophenyl)oxane-4-carboxylic acid

Systemtic Name: 4-(3-bromophenyl)oxane-4-carboxylic acid Openeye Name: 4-(3-bromophenyl)tetrahydropyran-4-carboxylic acid CAS Name: 4-(3-bromophenyl)-4-oxanecarboxylic acid IUPAC Name: 4-(3-bromophenyl)oxane-4-carboxylic acid Traditional Name: 4-(3-bromophenyl)tetrahydropyran-4-carboxylic acid Formula: C12H13BrO3 MolecularWeight: 285.13382

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

C1COCCC1(C2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C12H13BrO3/c13-10-3-1-2-9(8-10)12(11(14)15)4-6-16-7-5-12/h1-3,8H,4-7H2,(H,14,15)