(4S,5R,6R)-2,2-dimethyl-4-octyl-6-(phenylmethoxymethyl)-5-prop-2-enyl-1,3-dioxane

Systemtic Name: (4S,5R,6R)-2,2-dimethyl-4-octyl-6-(phenylmethoxymethyl)-5-prop-2-enyl-1,3-dioxane Openeye Name: (4R,5R,6S)-5-allyl-4-(benzyloxymethyl)-2,2-dimethyl-6-octyl-1,3-dioxane CAS Name: (4S,5R,6R)-2,2-dimethyl-4-octyl-6-(phenylmethoxymethyl)-5-prop-2-enyl-1,3-dioxane IUPAC Name: (4S,5R,6R)-2,2-dimethyl-4-octyl-6-(phenylmethoxymethyl)-5-prop-2-enyl-1,3-dioxane Traditional Name: (4R,5R,6S)-5-allyl-4-(benzoxymethyl)-2,2-dimethyl-6-octyl-1,3-dioxane Formula: C25H40O3 MolecularWeight: 388.5833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(C(OC(O1)(C)C)COCC2=CC=CC=C2)CC=C

Isomeric SMILES

CCCCCCCC[C@H]1[C@H]([C@@H](OC(O1)(C)C)COCC2=CC=CC=C2)CC=C

InChI

InChI=1S/C25H40O3/c1-5-7-8-9-10-14-18-23-22(15-6-2)24(28-25(3,4)27-23)20-26-19-21-16-12-11-13-17-21/h6,11-13,16-17,22-24H,2,5,7-10,14-15,18-20H2,1,3-4H3/t22-,23+,24+/m1/s1