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ethyl (5R,6S)-5-oxidanyl-6-phenylmethoxy-hexadec-2-ynoate

ethyl (5R,6S)-5-oxidanyl-6-phenylmethoxy-hexadec-2-ynoate

Systemtic Name:ethyl (5R,6S)-5-oxidanyl-6-phenylmethoxy-hexadec-2-ynoate
Openeye Name:ethyl (5R,6S)-6-benzyloxy-5-hydroxy-hexadec-2-ynoate
CAS Name:(5R,6S)-5-hydroxy-6-phenylmethoxy-2-hexadecynoic acid ethyl ester
IUPAC Name:ethyl (5R,6S)-5-hydroxy-6-phenylmethoxyhexadec-2-ynoate
Traditional Name:(5R,6S)-6-benzoxy-5-hydroxy-hexadec-2-ynoic acid ethyl ester
Formula: C25H38O4
MolecularWeight: 402.56682
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(CC#CC(=O)OCC)O)OCC1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCC[C@@H]([C@@H](CC#CC(=O)OCC)O)OCC1=CC=CC=C1


InChI

InChI=1S/C25H38O4/c1-3-5-6-7-8-9-10-14-19-24(29-21-22-16-12-11-13-17-22)23(26)18-15-20-25(27)28-4-2/h11-13,16-17,23-24,26H,3-10,14,18-19,21H2,1-2H3/t23-,24+/m1/s1


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