[3-methyl-5-(phosphonomethyl)phenyl]methylphosphonic acid

Systemtic Name: [3-methyl-5-(phosphonomethyl)phenyl]methylphosphonic acid Openeye Name: [3-methyl-5-(phosphonomethyl)phenyl]methylphosphonic acid CAS Name: [3-methyl-5-(phosphonomethyl)phenyl]methylphosphonic acid IUPAC Name: [3-methyl-5-(phosphonomethyl)phenyl]methylphosphonic acid Traditional Name: [3-methyl-5-(phosphonomethyl)benzyl]phosphonic acid Formula: C9H14O6P2 MolecularWeight: 280.151382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

CC1=CC(=CC(=C1)CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C9H14O6P2/c1-7-2-8(5-16(10,11)12)4-9(3-7)6-17(13,14)15/h2-4H,5-6H2,1H3,(H2,10,11,12)(H2,13,14,15)