3-[(4-butylphenyl)-oxidanyl-phosphoryl]propanoic acid

Systemtic Name: 3-[(4-butylphenyl)-oxidanyl-phosphoryl]propanoic acid Openeye Name: 3-[(4-butylphenyl)-hydroxy-phosphoryl]propanoic acid CAS Name: 3-[(4-butylphenyl)-hydroxyphosphoryl]propanoic acid IUPAC Name: 3-[(4-butylphenyl)-hydroxyphosphoryl]propanoic acid Traditional Name: 3-[(4-butylphenyl)-hydroxy-phosphoryl]propionic acid Formula: C13H19O4P MolecularWeight: 270.261321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)P(=O)(CCC(=O)O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)P(=O)(CCC(=O)O)O

InChI

InChI=1S/C13H19O4P/c1-2-3-4-11-5-7-12(8-6-11)18(16,17)10-9-13(14)15/h5-8H,2-4,9-10H2,1H3,(H,14,15)(H,16,17)