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(16S,17S)-16,18-bis(oxidanyl)-17-phenylmethoxy-octadec-14-yn-7-one

(16S,17S)-16,18-bis(oxidanyl)-17-phenylmethoxy-octadec-14-yn-7-one

Systemtic Name:(16S,17S)-16,18-bis(oxidanyl)-17-phenylmethoxy-octadec-14-yn-7-one
Openeye Name:(16S,17S)-17-benzyloxy-16,18-dihydroxy-octadec-14-yn-7-one
CAS Name:(16S,17S)-16,18-dihydroxy-17-phenylmethoxy-14-octadecyn-7-one
IUPAC Name:(16S,17S)-16,18-dihydroxy-17-phenylmethoxyoctadec-14-yn-7-one
Traditional Name:(16S,17S)-17-benzoxy-16,18-dihydroxy-octadec-14-yn-7-one
Formula: C25H38O4
MolecularWeight: 402.56682
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C25H38O4/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/h9-11,15-16,24-26,28H,2-8,12-13,17-18,20-21H2,1H3/t24-,25-/m0/s1


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