(2-ethyl-1-oxidanyl-2-phenoxy-1-phosphono-butyl)phosphonic acid

Systemtic Name: (2-ethyl-1-oxidanyl-2-phenoxy-1-phosphono-butyl)phosphonic acid Openeye Name: (2-ethyl-1-hydroxy-2-phenoxy-1-phosphono-butyl)phosphonic acid CAS Name: (2-ethyl-1-hydroxy-2-phenoxy-1-phosphonobutyl)phosphonic acid IUPAC Name: (2-ethyl-1-hydroxy-2-phenoxy-1-phosphonobutyl)phosphonic acid Traditional Name: (2-ethyl-1-hydroxy-2-phenoxy-1-phosphono-butyl)phosphonic acid Formula: C12H20O8P2 MolecularWeight: 354.229922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(O)(P(=O)(O)O)P(=O)(O)O)OC1=CC=CC=C1

Isomeric SMILES

CCC(CC)(C(O)(P(=O)(O)O)P(=O)(O)O)OC1=CC=CC=C1

InChI

InChI=1S/C12H20O8P2/c1-3-11(4-2,20-10-8-6-5-7-9-10)12(13,21(14,15)16)22(17,18)19/h5-9,13H,3-4H2,1-2H3,(H2,14,15,16)(H2,17,18,19)