2,2-bis(hydroxymethyl)propane-1,3-diol; [4-(phosphonomethyl)phenyl]methylphosphonic acid

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; [4-(phosphonomethyl)phenyl]methylphosphonic acid Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; [4-(phosphonomethyl)phenyl]methylphosphonic acid CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; [4-(phosphonomethyl)phenyl]methylphosphonic acid IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; [4-(phosphonomethyl)phenyl]methylphosphonic acid Traditional Name: 2,2-dimethylolpropane-1,3-diol; [4-(phosphonomethyl)benzyl]phosphonic acid Formula: C13H24O10P2 MolecularWeight: 402.271182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CP(=O)(O)O)CP(=O)(O)O.C(C(CO)(CO)CO)O

Isomeric SMILES

C1=CC(=CC=C1CP(=O)(O)O)CP(=O)(O)O.C(C(CO)(CO)CO)O

InChI

InChI=1S/C8H12O6P2.C5H12O4/c9-15(10,11)5-7-1-2-8(4-3-7)6-16(12,13)14;6-1-5(2-7,3-8)4-9/h1-4H,5-6H2,(H2,9,10,11)(H2,12,13,14);6-9H,1-4H2