[2-(4-chloranylphenoxy)-2-methyl-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [2-(4-chloranylphenoxy)-2-methyl-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [2-(4-chlorophenoxy)-1-hydroxy-2-methyl-1-phosphono-butyl]phosphonic acid CAS Name: [2-(4-chlorophenoxy)-1-hydroxy-2-methyl-1-phosphonobutyl]phosphonic acid IUPAC Name: [2-(4-chlorophenoxy)-1-hydroxy-2-methyl-1-phosphonobutyl]phosphonic acid Traditional Name: [2-(4-chlorophenoxy)-1-hydroxy-2-methyl-1-phosphono-butyl]phosphonic acid Formula: C11H17ClO8P2 MolecularWeight: 374.648402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(O)(P(=O)(O)O)P(=O)(O)O)OC1=CC=C(C=C1)Cl

Isomeric SMILES

CCC(C)(C(O)(P(=O)(O)O)P(=O)(O)O)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C11H17ClO8P2/c1-3-10(2,20-9-6-4-8(12)5-7-9)11(13,21(14,15)16)22(17,18)19/h4-7,13H,3H2,1-2H3,(H2,14,15,16)(H2,17,18,19)