[1-oxidanyl-1-phosphono-3-(4-propan-2-ylphenyl)propyl]phosphonic acid

Systemtic Name: [1-oxidanyl-1-phosphono-3-(4-propan-2-ylphenyl)propyl]phosphonic acid Openeye Name: [1-hydroxy-3-(4-isopropylphenyl)-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-1-phosphono-3-(4-propan-2-ylphenyl)propyl]phosphonic acid IUPAC Name: [1-hydroxy-1-phosphono-3-(4-propan-2-ylphenyl)propyl]phosphonic acid Traditional Name: (1-hydroxy-3-p-cumenyl-1-phosphono-propyl)phosphonic acid Formula: C12H20O7P2 MolecularWeight: 338.230522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H20O7P2/c1-9(2)11-5-3-10(4-6-11)7-8-12(13,20(14,15)16)21(17,18)19/h3-6,9,13H,7-8H2,1-2H3,(H2,14,15,16)(H2,17,18,19)