5-(2-methyl-4-phosphono-butan-2-yl)-2-oxidanyl-benzoic acid

Systemtic Name: 5-(2-methyl-4-phosphono-butan-2-yl)-2-oxidanyl-benzoic acid Openeye Name: 5-(1,1-dimethyl-3-phosphono-propyl)-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-5-(2-methyl-4-phosphonobutan-2-yl)benzoic acid IUPAC Name: 2-hydroxy-5-(2-methyl-4-phosphonobutan-2-yl)benzoic acid Traditional Name: 5-(1,1-dimethyl-3-phosphono-propyl)-2-hydroxy-benzoic acid Formula: C12H17O6P MolecularWeight: 288.233541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCP(=O)(O)O)C1=CC(=C(C=C1)O)C(=O)O

Isomeric SMILES

CC(C)(CCP(=O)(O)O)C1=CC(=C(C=C1)O)C(=O)O

InChI

InChI=1S/C12H17O6P/c1-12(2,5-6-19(16,17)18)8-3-4-10(13)9(7-8)11(14)15/h3-4,7,13H,5-6H2,1-2H3,(H,14,15)(H2,16,17,18)