3-(1-oxidanyl-1-phosphono-pentyl)benzoic acid

Systemtic Name: 3-(1-oxidanyl-1-phosphono-pentyl)benzoic acid Openeye Name: 3-(1-hydroxy-1-phosphono-pentyl)benzoic acid CAS Name: 3-(1-hydroxy-1-phosphonopentyl)benzoic acid IUPAC Name: 3-(1-hydroxy-1-phosphonopentyl)benzoic acid Traditional Name: 3-(1-hydroxy-1-phosphono-pentyl)benzoic acid Formula: C12H17O6P MolecularWeight: 288.233541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC(=C1)C(=O)O)(O)P(=O)(O)O

Isomeric SMILES

CCCCC(C1=CC=CC(=C1)C(=O)O)(O)P(=O)(O)O

InChI

InChI=1S/C12H17O6P/c1-2-3-7-12(15,19(16,17)18)10-6-4-5-9(8-10)11(13)14/h4-6,8,15H,2-3,7H2,1H3,(H,13,14)(H2,16,17,18)