[2-(2-bromoethyl)-3,4-diethyl-phenyl]phosphonic acid

Systemtic Name: [2-(2-bromoethyl)-3,4-diethyl-phenyl]phosphonic acid Openeye Name: [2-(2-bromoethyl)-3,4-diethyl-phenyl]phosphonic acid CAS Name: [2-(2-bromoethyl)-3,4-diethylphenyl]phosphonic acid IUPAC Name: [2-(2-bromoethyl)-3,4-diethylphenyl]phosphonic acid Traditional Name: [2-(2-bromoethyl)-3,4-diethyl-phenyl]phosphonic acid Formula: C12H18BrO3P MolecularWeight: 321.147281

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)P(=O)(O)O)CCBr)CC

Isomeric SMILES

CCC1=C(C(=C(C=C1)P(=O)(O)O)CCBr)CC

InChI

InChI=1S/C12H18BrO3P/c1-3-9-5-6-12(17(14,15)16)11(7-8-13)10(9)4-2/h5-6H,3-4,7-8H2,1-2H3,(H2,14,15,16)