[(13R)-1-(oxan-2-yloxy)-13-phenylmethoxy-tetradec-4-yn-6-yl] ethanoate

Systemtic Name: [(13R)-1-(oxan-2-yloxy)-13-phenylmethoxy-tetradec-4-yn-6-yl] ethanoate Openeye Name: [(8R)-8-benzyloxy-1-(5-tetrahydropyran-2-yloxypent-1-ynyl)nonyl] acetate CAS Name: acetic acid [(13R)-1-(2-oxanyloxy)-13-phenylmethoxytetradec-4-yn-6-yl] ester IUPAC Name: [(13R)-1-(oxan-2-yloxy)-13-phenylmethoxytetradec-4-yn-6-yl] acetate Traditional Name: acetic acid [1-[(7R)-7-benzoxyoctyl]-6-tetrahydropyran-2-yloxy-hex-2-ynyl] ester Formula: C28H42O5 MolecularWeight: 458.63008

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCC(C#CCCCOC1CCCCO1)OC(=O)C)OCC2=CC=CC=C2

Isomeric SMILES

C[C@H](CCCCCCC(C#CCCCOC1CCCCO1)OC(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C28H42O5/c1-24(32-23-26-16-8-5-9-17-26)15-7-3-4-10-18-27(33-25(2)29)19-11-6-13-21-30-28-20-12-14-22-31-28/h5,8-9,16-17,24,27-28H,3-4,6-7,10,12-15,18,20-23H2,1-2H3/t24-,27?,28?/m1/s1