(E)-3-(2,4-dimethyl-6-oxidanyl-phenyl)-4-phosphono-but-2-enoic acid

Systemtic Name: (E)-3-(2,4-dimethyl-6-oxidanyl-phenyl)-4-phosphono-but-2-enoic acid Openeye Name: (E)-3-(2-hydroxy-4,6-dimethyl-phenyl)-4-phosphono-but-2-enoic acid CAS Name: (E)-3-(2-hydroxy-4,6-dimethylphenyl)-4-phosphono-2-butenoic acid IUPAC Name: (E)-3-(2-hydroxy-4,6-dimethylphenyl)-4-phosphonobut-2-enoic acid Traditional Name: (E)-3-(2-hydroxy-4,6-dimethyl-phenyl)-4-phosphono-but-2-enoic acid Formula: C12H15O6P MolecularWeight: 286.217661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)O)C(=CC(=O)O)CP(=O)(O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)O)/C(=C\C(=O)O)/CP(=O)(O)O)C

InChI

InChI=1S/C12H15O6P/c1-7-3-8(2)12(10(13)4-7)9(5-11(14)15)6-19(16,17)18/h3-5,13H,6H2,1-2H3,(H,14,15)(H2,16,17,18)/b9-5-