[4-(4-chlorophenyl)-4-oxidanylidene-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-(4-chlorophenyl)-4-oxidanylidene-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(4-chlorophenyl)-4-oxo-1-phosphono-butyl]phosphonic acid CAS Name: [4-(4-chlorophenyl)-4-oxo-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-(4-chlorophenyl)-4-oxo-1-phosphonobutyl]phosphonic acid Traditional Name: [4-(4-chlorophenyl)-4-keto-1-phosphono-butyl]phosphonic acid Formula: C10H13ClO7P2 MolecularWeight: 342.606542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCC(P(=O)(O)O)P(=O)(O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCC(P(=O)(O)O)P(=O)(O)O)Cl

InChI

InChI=1S/C10H13ClO7P2/c11-8-3-1-7(2-4-8)9(12)5-6-10(19(13,14)15)20(16,17)18/h1-4,10H,5-6H2,(H2,13,14,15)(H2,16,17,18)