[3,5-bis(phosphonomethyl)phenyl]methylphosphonic acid

Systemtic Name: [3,5-bis(phosphonomethyl)phenyl]methylphosphonic acid Openeye Name: [3,5-bis(phosphonomethyl)phenyl]methylphosphonic acid CAS Name: [3,5-bis(phosphonomethyl)phenyl]methylphosphonic acid IUPAC Name: [3,5-bis(phosphonomethyl)phenyl]methylphosphonic acid Traditional Name: [3,5-bis(phosphonomethyl)benzyl]phosphonic acid Formula: C9H15O9P3 MolecularWeight: 360.131283

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

C1=C(C=C(C=C1CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C9H15O9P3/c10-19(11,12)4-7-1-8(5-20(13,14)15)3-9(2-7)6-21(16,17)18/h1-3H,4-6H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)