3-(3-bromanyl-2-methoxy-phenyl)carbonyloxypentan-3-ylphosphonic acid

Systemtic Name: 3-(3-bromanyl-2-methoxy-phenyl)carbonyloxypentan-3-ylphosphonic acid Openeye Name: [1-(3-bromo-2-methoxy-benzoyl)oxy-1-ethyl-propyl]phosphonic acid CAS Name: 3-[(3-bromo-2-methoxyphenyl)-oxomethoxy]pentan-3-ylphosphonic acid IUPAC Name: 3-(3-bromo-2-methoxybenzoyl)oxypentan-3-ylphosphonic acid Traditional Name: [1-(3-bromo-2-methoxy-benzoyl)oxy-1-ethyl-propyl]phosphonic acid Formula: C13H18BrO6P MolecularWeight: 381.156181

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OC(=O)C1=C(C(=CC=C1)Br)OC)P(=O)(O)O

Isomeric SMILES

CCC(CC)(OC(=O)C1=C(C(=CC=C1)Br)OC)P(=O)(O)O

InChI

InChI=1S/C13H18BrO6P/c1-4-13(5-2,21(16,17)18)20-12(15)9-7-6-8-10(14)11(9)19-3/h6-8H,4-5H2,1-3H3,(H2,16,17,18)