(3,5,5-trimethyl-6-oxidanylidene-oxan-3-yl)methyl 2-ethylhexanoate

Systemtic Name: (3,5,5-trimethyl-6-oxidanylidene-oxan-3-yl)methyl 2-ethylhexanoate Openeye Name: (3,5,5-trimethyl-6-oxo-tetrahydropyran-3-yl)methyl 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid (3,5,5-trimethyl-6-oxo-3-oxanyl)methyl ester IUPAC Name: (3,5,5-trimethyl-6-oxooxan-3-yl)methyl 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid (6-keto-3,5,5-trimethyl-tetrahydropyran-3-yl)methyl ester Formula: C17H30O4 MolecularWeight: 298.4177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OCC1(CC(C(=O)OC1)(C)C)C

Isomeric SMILES

CCCCC(CC)C(=O)OCC1(CC(C(=O)OC1)(C)C)C

InChI

InChI=1S/C17H30O4/c1-6-8-9-13(7-2)14(18)20-11-17(5)10-16(3,4)15(19)21-12-17/h13H,6-12H2,1-5H3