(2S,3R)-2-hept-1-ynyl-3-phenylmethoxy-oxepane

Systemtic Name: (2S,3R)-2-hept-1-ynyl-3-phenylmethoxy-oxepane Openeye Name: (2S,3R)-3-benzyloxy-2-hept-1-ynyl-oxepane CAS Name: (2S,3R)-2-hept-1-ynyl-3-phenylmethoxyoxepane IUPAC Name: (2S,3R)-2-hept-1-ynyl-3-phenylmethoxyoxepane Traditional Name: (2S,3R)-3-benzoxy-2-hept-1-ynyl-oxepane Formula: C20H28O2 MolecularWeight: 300.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1C(CCCCO1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCC#C[C@H]1[C@@H](CCCCO1)OCC2=CC=CC=C2

InChI

InChI=1S/C20H28O2/c1-2-3-4-5-9-14-19-20(15-10-11-16-21-19)22-17-18-12-7-6-8-13-18/h6-8,12-13,19-20H,2-5,10-11,15-17H2,1H3/t19-,20+/m0/s1