2,5,5-trimethylhexyl dihydrogen phosphate

Systemtic Name: 2,5,5-trimethylhexyl dihydrogen phosphate Openeye Name: 2,5,5-trimethylhexyl dihydrogen phosphate CAS Name: 2,5,5-trimethylhexyl dihydrogen phosphate IUPAC Name: 2,5,5-trimethylhexyl dihydrogen phosphate Traditional Name: 2,5,5-trimethylhexyl dihydrogen phosphate Formula: C9H21O4P MolecularWeight: 224.234401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C)(C)C)COP(=O)(O)O

Isomeric SMILES

CC(CCC(C)(C)C)COP(=O)(O)O

InChI

InChI=1S/C9H21O4P/c1-8(5-6-9(2,3)4)7-13-14(10,11)12/h8H,5-7H2,1-4H3,(H2,10,11,12)