(4-propylphenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate

Systemtic Name: (4-propylphenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: (4-propylphenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-methyl-2-pentyl-1,3-dioxane-5-carboxylic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-2-methyl-1,3-dioxane-5-carboxylic acid (4-propylphenyl) ester Formula: C20H30O4 MolecularWeight: 334.4498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OCC(CO1)C(=O)OC2=CC=C(C=C2)CCC)C

Isomeric SMILES

CCCCCC1(OCC(CO1)C(=O)OC2=CC=C(C=C2)CCC)C

InChI

InChI=1S/C20H30O4/c1-4-6-7-13-20(3)22-14-17(15-23-20)19(21)24-18-11-9-16(8-5-2)10-12-18/h9-12,17H,4-8,13-15H2,1-3H3