3-[[3,5-bis(chloranyl)-4-octoxy-phenyl]methylamino]propylphosphonic acid

Systemtic Name: 3-[[3,5-bis(chloranyl)-4-octoxy-phenyl]methylamino]propylphosphonic acid Openeye Name: 3-[(3,5-dichloro-4-octoxy-phenyl)methylamino]propylphosphonic acid CAS Name: 3-[(3,5-dichloro-4-octoxyphenyl)methylamino]propylphosphonic acid IUPAC Name: 3-[(3,5-dichloro-4-octoxyphenyl)methylamino]propylphosphonic acid Traditional Name: 3-[(3,5-dichloro-4-octoxy-benzyl)amino]propylphosphonic acid Formula: C18H30Cl2NO4P MolecularWeight: 426.314861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1Cl)CNCCCP(=O)(O)O)Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1Cl)CNCCCP(=O)(O)O)Cl

InChI

InChI=1S/C18H30Cl2NO4P/c1-2-3-4-5-6-7-10-25-18-16(19)12-15(13-17(18)20)14-21-9-8-11-26(22,23)24/h12-13,21H,2-11,14H2,1H3,(H2,22,23,24)