[4-(3-bromanylpentan-3-yl)phenyl]methylphosphonic acid

Systemtic Name: [4-(3-bromanylpentan-3-yl)phenyl]methylphosphonic acid Openeye Name: [4-(1-bromo-1-ethyl-propyl)phenyl]methylphosphonic acid CAS Name: [4-(3-bromopentan-3-yl)phenyl]methylphosphonic acid IUPAC Name: [4-(3-bromopentan-3-yl)phenyl]methylphosphonic acid Traditional Name: [4-(1-bromo-1-ethyl-propyl)benzyl]phosphonic acid Formula: C12H18BrO3P MolecularWeight: 321.147281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)CP(=O)(O)O)Br

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)CP(=O)(O)O)Br

InChI

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