(1-chloranyl-4-oxidanylidene-4-phenyl-1-phosphono-butyl)phosphonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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