2-[(2-ethylphenyl)methyl]-3-phosphono-propanoic acid

Systemtic Name: 2-[(2-ethylphenyl)methyl]-3-phosphono-propanoic acid Openeye Name: 2-[(2-ethylphenyl)methyl]-3-phosphono-propanoic acid CAS Name: 2-[(2-ethylphenyl)methyl]-3-phosphonopropanoic acid IUPAC Name: 2-[(2-ethylphenyl)methyl]-3-phosphonopropanoic acid Traditional Name: 2-(2-ethylbenzyl)-3-phosphono-propionic acid Formula: C12H17O5P MolecularWeight: 272.234141

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CC(CP(=O)(O)O)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1CC(CP(=O)(O)O)C(=O)O

InChI

InChI=1S/C12H17O5P/c1-2-9-5-3-4-6-10(9)7-11(12(13)14)8-18(15,16)17/h3-6,11H,2,7-8H2,1H3,(H,13,14)(H2,15,16,17)