(3-ethoxycarbonyl-4-oxidanylidene-4-phenyl-1-phosphono-butyl)phosphonic acid

Systemtic Name: (3-ethoxycarbonyl-4-oxidanylidene-4-phenyl-1-phosphono-butyl)phosphonic acid Openeye Name: (3-benzoyl-4-ethoxy-4-oxo-1-phosphono-butyl)phosphonic acid CAS Name: (3-benzoyl-4-ethoxy-4-oxo-1-phosphonobutyl)phosphonic acid IUPAC Name: (3-benzoyl-4-ethoxy-4-oxo-1-phosphonobutyl)phosphonic acid Traditional Name: (3-benzoyl-4-ethoxy-4-keto-1-phosphono-butyl)phosphonic acid Formula: C13H18O9P2 MolecularWeight: 380.224142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O9P2/c1-2-22-13(15)10(12(14)9-6-4-3-5-7-9)8-11(23(16,17)18)24(19,20)21/h3-7,10-11H,2,8H2,1H3,(H2,16,17,18)(H2,19,20,21)