4-(3-phosphonopentan-3-yl)benzoate

Systemtic Name: 4-(3-phosphonopentan-3-yl)benzoate Openeye Name: 4-(1-ethyl-1-phosphono-propyl)benzoate CAS Name: 4-(3-phosphonopentan-3-yl)benzoate IUPAC Name: 4-(3-phosphonopentan-3-yl)benzoate Traditional Name: 4-(1-ethyl-1-phosphono-propyl)benzoate Formula: C12H16O5P- MolecularWeight: 271.226201

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)C(=O)[O-])P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)C(=O)[O-])P(=O)(O)O

InChI

InChI=1S/C12H17O5P/c1-3-12(4-2,18(15,16)17)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)(H2,15,16,17)/p-1