(E)-2,4-diethoxy-3-methyl-4-phosphono-but-2-enoic acid

Systemtic Name: (E)-2,4-diethoxy-3-methyl-4-phosphono-but-2-enoic acid Openeye Name: (E)-2,4-diethoxy-3-methyl-4-phosphono-but-2-enoic acid CAS Name: (E)-2,4-diethoxy-3-methyl-4-phosphono-2-butenoic acid IUPAC Name: (E)-2,4-diethoxy-3-methyl-4-phosphonobut-2-enoic acid Traditional Name: (E)-2,4-diethoxy-3-methyl-4-phosphono-but-2-enoic acid Formula: C9H17O7P MolecularWeight: 268.200841

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=C(C(=O)O)OCC)C)P(=O)(O)O

Isomeric SMILES

CCOC(/C(=C(\C(=O)O)/OCC)/C)P(=O)(O)O

InChI

InChI=1S/C9H17O7P/c1-4-15-7(8(10)11)6(3)9(16-5-2)17(12,13)14/h9H,4-5H2,1-3H3,(H,10,11)(H2,12,13,14)/b7-6+