3-butyl-2,2-dihexyl-nonane-1,1,1-triol

Systemtic Name: 3-butyl-2,2-dihexyl-nonane-1,1,1-triol Openeye Name: 3-butyl-2,2-dihexyl-nonane-1,1,1-triol CAS Name: 3-butyl-2,2-dihexylnonane-1,1,1-triol IUPAC Name: 3-butyl-2,2-dihexylnonane-1,1,1-triol Traditional Name: 3-butyl-2,2-dihexyl-nonane-1,1,1-triol Formula: C25H52O3 MolecularWeight: 400.67858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)C(CCCCCC)(CCCCCC)C(O)(O)O

Isomeric SMILES

CCCCCCC(CCCC)C(CCCCCC)(CCCCCC)C(O)(O)O

InChI

InChI=1S/C25H52O3/c1-5-9-13-16-20-23(19-12-8-4)24(25(26,27)28,21-17-14-10-6-2)22-18-15-11-7-3/h23,26-28H,5-22H2,1-4H3