5-ethynyl-6-[(2S,3S)-3-pentyloxiran-2-yl]-1,3-benzodioxole

Systemtic Name: 5-ethynyl-6-[(2S,3S)-3-pentyloxiran-2-yl]-1,3-benzodioxole Openeye Name: 5-ethynyl-6-[(2S,3S)-3-pentyloxiran-2-yl]-1,3-benzodioxole CAS Name: 5-ethynyl-6-[(2S,3S)-3-pentyl-2-oxiranyl]-1,3-benzodioxole IUPAC Name: 5-ethynyl-6-[(2S,3S)-3-pentyloxiran-2-yl]-1,3-benzodioxole Traditional Name: 5-[(2S,3S)-3-amyloxiran-2-yl]-6-ethynyl-1,3-benzodioxole Formula: C16H18O3 MolecularWeight: 258.31232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(O1)C2=CC3=C(C=C2C#C)OCO3

Isomeric SMILES

CCCCC[C@H]1[C@@H](O1)C2=CC3=C(C=C2C#C)OCO3

InChI

InChI=1S/C16H18O3/c1-3-5-6-7-13-16(19-13)12-9-15-14(17-10-18-15)8-11(12)4-2/h2,8-9,13,16H,3,5-7,10H2,1H3/t13-,16-/m0/s1