[3-(bromomethyl)-5-octoxy-phenyl]methylphosphonic acid

Systemtic Name: [3-(bromomethyl)-5-octoxy-phenyl]methylphosphonic acid Openeye Name: [3-(bromomethyl)-5-octoxy-phenyl]methylphosphonic acid CAS Name: [3-(bromomethyl)-5-octoxyphenyl]methylphosphonic acid IUPAC Name: [3-(bromomethyl)-5-octoxyphenyl]methylphosphonic acid Traditional Name: [3-(bromomethyl)-5-octoxy-benzyl]phosphonic acid Formula: C16H26BrO4P MolecularWeight: 393.253001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=CC(=C1)CBr)CP(=O)(O)O

Isomeric SMILES

CCCCCCCCOC1=CC(=CC(=C1)CBr)CP(=O)(O)O

InChI

InChI=1S/C16H26BrO4P/c1-2-3-4-5-6-7-8-21-16-10-14(12-17)9-15(11-16)13-22(18,19)20/h9-11H,2-8,12-13H2,1H3,(H2,18,19,20)