2-butyl-2-ethyl-1-(2,4,6-tritert-butylphenyl)propane-1,3-diol phosphate

Systemtic Name: 2-butyl-2-ethyl-1-(2,4,6-tritert-butylphenyl)propane-1,3-diol phosphate Openeye Name: 2-butyl-2-ethyl-1-(2,4,6-tritert-butylphenyl)propane-1,3-diol phosphate CAS Name: 2-butyl-2-ethyl-1-(2,4,6-tritert-butylphenyl)propane-1,3-diol phosphate IUPAC Name: 2-butyl-2-ethyl-1-(2,4,6-tritert-butylphenyl)propane-1,3-diol phosphate Traditional Name: 2-butyl-2-ethyl-1-(2,4,6-tritert-butylphenyl)propane-1,3-diol phosphate Formula: C27H48O6P-3 MolecularWeight: 499.640181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CO)C(C1=C(C=C(C=C1C(C)(C)C)C(C)(C)C)C(C)(C)C)O.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCC(CC)(CO)C(C1=C(C=C(C=C1C(C)(C)C)C(C)(C)C)C(C)(C)C)O.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C27H48O2.H3O4P/c1-12-14-15-27(13-2,18-28)23(29)22-20(25(6,7)8)16-19(24(3,4)5)17-21(22)26(9,10)11;1-5(2,3)4/h16-17,23,28-29H,12-15,18H2,1-11H3;(H3,1,2,3,4)/p-3