[2-(3-methyl-4-oxidanyl-phenoxy)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(3-methyl-4-oxidanyl-phenoxy)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(4-hydroxy-3-methyl-phenoxy)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(4-hydroxy-3-methylphenoxy)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(4-hydroxy-3-methylphenoxy)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(4-hydroxy-3-methyl-phenoxy)-1-phosphono-ethyl]phosphonic acid Formula: C9H14O8P2 MolecularWeight: 312.150182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(P(=O)(O)O)P(=O)(O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(P(=O)(O)O)P(=O)(O)O)O

InChI

InChI=1S/C9H14O8P2/c1-6-4-7(2-3-8(6)10)17-5-9(18(11,12)13)19(14,15)16/h2-4,9-10H,5H2,1H3,(H2,11,12,13)(H2,14,15,16)