2-ethylhexan-1-ol; (phenylmethyl) 2,2-dimethyl-3-phenylmethoxy-propanoate

Systemtic Name: 2-ethylhexan-1-ol; (phenylmethyl) 2,2-dimethyl-3-phenylmethoxy-propanoate Openeye Name: benzyl 3-benzyloxy-2,2-dimethyl-propanoate; 2-ethylhexan-1-ol CAS Name: 2,2-dimethyl-3-phenylmethoxypropanoic acid (phenylmethyl) ester; 2-ethyl-1-hexanol IUPAC Name: benzyl 2,2-dimethyl-3-phenylmethoxypropanoate; 2-ethylhexan-1-ol Traditional Name: 3-benzoxy-2,2-dimethyl-propionic acid benzyl ester; 2-ethylhexan-1-ol Formula: C27H40O4 MolecularWeight: 428.6041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CO.CC(C)(COCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)CO.CC(C)(COCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H22O3.C8H18O/c1-19(2,15-21-13-16-9-5-3-6-10-16)18(20)22-14-17-11-7-4-8-12-17;1-3-5-6-8(4-2)7-9/h3-12H,13-15H2,1-2H3;8-9H,3-7H2,1-2H3