(2E)-5-oxidanyl-2-(phosphonomethylidene)hexanoic acid

Systemtic Name: (2E)-5-oxidanyl-2-(phosphonomethylidene)hexanoic acid Openeye Name: (2E)-5-hydroxy-2-(phosphonomethylene)hexanoic acid CAS Name: (2E)-5-hydroxy-2-(phosphonomethylidene)hexanoic acid IUPAC Name: (2E)-5-hydroxy-2-(phosphonomethylidene)hexanoic acid Traditional Name: (E)-2-(3-hydroxybutyl)-3-phosphono-acrylic acid Formula: C7H13O6P MolecularWeight: 224.148281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CC/C(=C\P(=O)(O)O)/C(=O)O)O

InChI

InChI=1S/C7H13O6P/c1-5(8)2-3-6(7(9)10)4-14(11,12)13/h4-5,8H,2-3H2,1H3,(H,9,10)(H2,11,12,13)/b6-4+