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

Systemtic Name: (2S,3R)-2-hept-1-ynyl-3-phenylmethoxy-oxocane Openeye Name: (2S,3R)-3-benzyloxy-2-hept-1-ynyl-oxocane CAS Name: (2S,3R)-2-hept-1-ynyl-3-phenylmethoxyoxocane IUPAC Name: (2S,3R)-2-hept-1-ynyl-3-phenylmethoxyoxocane Traditional Name: (2S,3R)-3-benzoxy-2-hept-1-ynyl-oxocane Formula: C21H30O2 MolecularWeight: 314.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1C(CCCCCO1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCC#C[C@H]1[C@@H](CCCCCO1)OCC2=CC=CC=C2

InChI

InChI=1S/C21H30O2/c1-2-3-4-5-10-15-20-21(16-11-7-12-17-22-20)23-18-19-13-8-6-9-14-19/h6,8-9,13-14,20-21H,2-5,7,11-12,16-18H2,1H3/t20-,21+/m0/s1