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

Systemtic Name: [2-methyl-1-oxidanyl-2-(2-oxidanylphenoxy)-1-phosphono-butyl]phosphonic acid Openeye Name: [1-hydroxy-2-(2-hydroxyphenoxy)-2-methyl-1-phosphono-butyl]phosphonic acid CAS Name: [1-hydroxy-2-(2-hydroxyphenoxy)-2-methyl-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-hydroxy-2-(2-hydroxyphenoxy)-2-methyl-1-phosphonobutyl]phosphonic acid Traditional Name: [1-hydroxy-2-(2-hydroxyphenoxy)-2-methyl-1-phosphono-butyl]phosphonic acid Formula: C11H18O9P2 MolecularWeight: 356.202742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(O)(P(=O)(O)O)P(=O)(O)O)OC1=CC=CC=C1O

Isomeric SMILES

CCC(C)(C(O)(P(=O)(O)O)P(=O)(O)O)OC1=CC=CC=C1O

InChI

InChI=1S/C11H18O9P2/c1-3-10(2,20-9-7-5-4-6-8(9)12)11(13,21(14,15)16)22(17,18)19/h4-7,12-13H,3H2,1-2H3,(H2,14,15,16)(H2,17,18,19)