[2,4-dimethyl-5-(phosphonomethyl)phenyl]methylphosphonic acid

Systemtic Name: [2,4-dimethyl-5-(phosphonomethyl)phenyl]methylphosphonic acid Openeye Name: [2,4-dimethyl-5-(phosphonomethyl)phenyl]methylphosphonic acid CAS Name: [2,4-dimethyl-5-(phosphonomethyl)phenyl]methylphosphonic acid IUPAC Name: [2,4-dimethyl-5-(phosphonomethyl)phenyl]methylphosphonic acid Traditional Name: [2,4-dimethyl-5-(phosphonomethyl)benzyl]phosphonic acid Formula: C10H16O6P2 MolecularWeight: 294.177962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CP(=O)(O)O)CP(=O)(O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1CP(=O)(O)O)CP(=O)(O)O)C

InChI

InChI=1S/C10H16O6P2/c1-7-3-8(2)10(6-18(14,15)16)4-9(7)5-17(11,12)13/h3-4H,5-6H2,1-2H3,(H2,11,12,13)(H2,14,15,16)