(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(3-phenylprop-2-ynyl)oxolan-2-yl]hexanoic acid

Systemtic Name: (2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(3-phenylprop-2-ynyl)oxolan-2-yl]hexanoic acid Openeye Name: (2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(3-phenylprop-2-ynyl)tetrahydrofuran-2-yl]hexanoic acid CAS Name: (2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(3-phenylprop-2-ynyl)-2-oxolanyl]hexanoic acid IUPAC Name: (2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(3-phenylprop-2-ynyl)oxolan-2-yl]hexanoic acid Traditional Name: (2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(3-phenylprop-2-ynyl)tetrahydrofuran-2-yl]hexanoic acid Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(OC1CCCCC(C)C(=O)O)CC#CC2=CC=CC=C2

Isomeric SMILES

C[C@H]1C[C@@H](O[C@H]1CCCC[C@H](C)C(=O)O)CC#CC2=CC=CC=C2

InChI

InChI=1S/C21H28O3/c1-16(21(22)23)9-6-7-14-20-17(2)15-19(24-20)13-8-12-18-10-4-3-5-11-18/h3-5,10-11,16-17,19-20H,6-7,9,13-15H2,1-2H3,(H,22,23)/t16-,17-,19-,20-/m0/s1