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(2S,3S,12R)-2-phenylmethoxyoctadec-4-yne-1,3,12-triol

(2S,3S,12R)-2-phenylmethoxyoctadec-4-yne-1,3,12-triol

Systemtic Name:(2S,3S,12R)-2-phenylmethoxyoctadec-4-yne-1,3,12-triol
Openeye Name:(2S,3S,12R)-2-benzyloxyoctadec-4-yne-1,3,12-triol
CAS Name:(2S,3S,12R)-2-phenylmethoxy-4-octadecyne-1,3,12-triol
IUPAC Name:(2S,3S,12R)-2-phenylmethoxyoctadec-4-yne-1,3,12-triol
Traditional Name:(2S,3S,12R)-2-benzoxyoctadec-4-yne-1,3,12-triol
Formula: C25H40O4
MolecularWeight: 404.5827
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCC#CC(C(CO)OCC1=CC=CC=C1)O)O


Isomeric SMILES

CCCCCC[C@H](CCCCCCC#C[C@@H]([C@H](CO)OCC1=CC=CC=C1)O)O


InChI

InChI=1S/C25H40O4/c1-2-3-4-12-17-23(27)18-13-7-5-6-8-14-19-24(28)25(20-26)29-21-22-15-10-9-11-16-22/h9-11,15-16,23-28H,2-8,12-13,17-18,20-21H2,1H3/t23-,24+,25+/m1/s1


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