ethyl 2-[(2R,4S,6R)-6-heptyl-2,5,5-trimethyl-1,3-dioxan-4-yl]ethanoate

Systemtic Name: ethyl 2-[(2R,4S,6R)-6-heptyl-2,5,5-trimethyl-1,3-dioxan-4-yl]ethanoate Openeye Name: ethyl 2-[(2R,4S,6R)-6-heptyl-2,5,5-trimethyl-1,3-dioxan-4-yl]acetate CAS Name: 2-[(2R,4S,6R)-6-heptyl-2,5,5-trimethyl-1,3-dioxan-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2R,4S,6R)-6-heptyl-2,5,5-trimethyl-1,3-dioxan-4-yl]acetate Traditional Name: 2-[(2R,4S,6R)-6-heptyl-2,5,5-trimethyl-1,3-dioxan-4-yl]acetic acid ethyl ester Formula: C18H34O4 MolecularWeight: 314.46016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(C(OC(O1)C)CC(=O)OCC)(C)C

Isomeric SMILES

CCCCCCC[C@@H]1C([C@@H](O[C@@H](O1)C)CC(=O)OCC)(C)C

InChI

InChI=1S/C18H34O4/c1-6-8-9-10-11-12-15-18(4,5)16(22-14(3)21-15)13-17(19)20-7-2/h14-16H,6-13H2,1-5H3/t14-,15-,16+/m1/s1