[4-methyl-1-(4-oxidanylphenoxy)-1-phosphono-pentyl]phosphonic acid

Systemtic Name: [4-methyl-1-(4-oxidanylphenoxy)-1-phosphono-pentyl]phosphonic acid Openeye Name: [1-(4-hydroxyphenoxy)-4-methyl-1-phosphono-pentyl]phosphonic acid CAS Name: [1-(4-hydroxyphenoxy)-4-methyl-1-phosphonopentyl]phosphonic acid IUPAC Name: [1-(4-hydroxyphenoxy)-4-methyl-1-phosphonopentyl]phosphonic acid Traditional Name: [1-(4-hydroxyphenoxy)-4-methyl-1-phosphono-pentyl]phosphonic acid Formula: C12H20O8P2 MolecularWeight: 354.229922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O8P2/c1-9(2)7-8-12(21(14,15)16,22(17,18)19)20-11-5-3-10(13)4-6-11/h3-6,9,13H,7-8H2,1-2H3,(H2,14,15,16)(H2,17,18,19)