[4-(3,4-dichlorophenyl)-4-oxidanylidene-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-(3,4-dichlorophenyl)-4-oxidanylidene-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(3,4-dichlorophenyl)-4-oxo-1-phosphono-butyl]phosphonic acid CAS Name: [4-(3,4-dichlorophenyl)-4-oxo-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-(3,4-dichlorophenyl)-4-oxo-1-phosphonobutyl]phosphonic acid Traditional Name: [4-(3,4-dichlorophenyl)-4-keto-1-phosphono-butyl]phosphonic acid Formula: C10H12Cl2O7P2 MolecularWeight: 377.051602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12Cl2O7P2/c11-7-2-1-6(5-8(7)12)9(13)3-4-10(20(14,15)16)21(17,18)19/h1-2,5,10H,3-4H2,(H2,14,15,16)(H2,17,18,19)