[2-(6-oxidanylidenehexan-3-yl)phenyl]phosphonic acid

Systemtic Name: [2-(6-oxidanylidenehexan-3-yl)phenyl]phosphonic acid Openeye Name: [2-(1-ethyl-4-oxo-butyl)phenyl]phosphonic acid CAS Name: [2-(6-oxohexan-3-yl)phenyl]phosphonic acid IUPAC Name: [2-(6-oxohexan-3-yl)phenyl]phosphonic acid Traditional Name: [2-(1-ethyl-4-keto-butyl)phenyl]phosphonic acid Formula: C12H17O4P MolecularWeight: 256.234741

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC=O)C1=CC=CC=C1P(=O)(O)O

Isomeric SMILES

CCC(CCC=O)C1=CC=CC=C1P(=O)(O)O

InChI

InChI=1S/C12H17O4P/c1-2-10(6-5-9-13)11-7-3-4-8-12(11)17(14,15)16/h3-4,7-10H,2,5-6H2,1H3,(H2,14,15,16)