(E)-3-ethyl-2-methyl-4-phosphono-hex-2-enoic acid

Systemtic Name: (E)-3-ethyl-2-methyl-4-phosphono-hex-2-enoic acid Openeye Name: (E)-3-ethyl-2-methyl-4-phosphono-hex-2-enoic acid CAS Name: (E)-3-ethyl-2-methyl-4-phosphono-2-hexenoic acid IUPAC Name: (E)-3-ethyl-2-methyl-4-phosphonohex-2-enoic acid Traditional Name: (E)-3-ethyl-2-methyl-4-phosphono-hex-2-enoic acid Formula: C9H17O5P MolecularWeight: 236.202041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17O5P/c1-4-7(6(3)9(10)11)8(5-2)15(12,13)14/h8H,4-5H2,1-3H3,(H,10,11)(H2,12,13,14)/b7-6+