(4S,5R)-4-ethynyl-2,2-dimethyl-5-(4-phenylmethoxybutyl)-1,3-dioxolane

Systemtic Name: (4S,5R)-4-ethynyl-2,2-dimethyl-5-(4-phenylmethoxybutyl)-1,3-dioxolane Openeye Name: (4R,5S)-4-(4-benzyloxybutyl)-5-ethynyl-2,2-dimethyl-1,3-dioxolane CAS Name: (4S,5R)-4-ethynyl-2,2-dimethyl-5-(4-phenylmethoxybutyl)-1,3-dioxolane IUPAC Name: (4S,5R)-4-ethynyl-2,2-dimethyl-5-(4-phenylmethoxybutyl)-1,3-dioxolane Traditional Name: (4R,5S)-4-(4-benzoxybutyl)-5-ethynyl-2,2-dimethyl-1,3-dioxolane Formula: C18H24O3 MolecularWeight: 288.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)C#C)CCCCOCC2=CC=CC=C2)C

Isomeric SMILES

CC1(O[C@@H]([C@@H](O1)C#C)CCCCOCC2=CC=CC=C2)C

InChI

InChI=1S/C18H24O3/c1-4-16-17(21-18(2,3)20-16)12-8-9-13-19-14-15-10-6-5-7-11-15/h1,5-7,10-11,16-17H,8-9,12-14H2,2-3H3/t16-,17+/m0/s1