(2S,3S)-2-methyl-2-pentyl-3-[(E)-2-phenylbut-1-en-3-ynyl]oxirane

Systemtic Name: (2S,3S)-2-methyl-2-pentyl-3-[(E)-2-phenylbut-1-en-3-ynyl]oxirane Openeye Name: (2S,3S)-2-methyl-2-pentyl-3-[(E)-2-phenylbut-1-en-3-ynyl]oxirane CAS Name: (2S,3S)-2-methyl-2-pentyl-3-[(E)-2-phenylbut-1-en-3-ynyl]oxirane IUPAC Name: (2S,3S)-2-methyl-2-pentyl-3-[(E)-2-phenylbut-1-en-3-ynyl]oxirane Traditional Name: (2S,3S)-2-amyl-2-methyl-3-[(E)-2-phenylbut-1-en-3-ynyl]oxirane Formula: C18H22O MolecularWeight: 254.36668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C(O1)C=C(C#C)C2=CC=CC=C2)C

Isomeric SMILES

CCCCC[C@]1([C@@H](O1)/C=C(\C#C)/C2=CC=CC=C2)C

InChI

InChI=1S/C18H22O/c1-4-6-10-13-18(3)17(19-18)14-15(5-2)16-11-8-7-9-12-16/h2,7-9,11-12,14,17H,4,6,10,13H2,1,3H3/b15-14+/t17-,18-/m0/s1