[(2S,3S)-3-undec-10-ynoyloxy-1,4-dioxan-2-yl] undec-10-ynoate

Systemtic Name: [(2S,3S)-3-undec-10-ynoyloxy-1,4-dioxan-2-yl] undec-10-ynoate Openeye Name: [(2S,3S)-3-undec-10-ynoyloxy-1,4-dioxan-2-yl] undec-10-ynoate CAS Name: 10-undecynoic acid [(2S,3S)-3-(1-oxoundec-10-ynoxy)-1,4-dioxan-2-yl] ester IUPAC Name: [(2S,3S)-3-undec-10-ynoyloxy-1,4-dioxan-2-yl] undec-10-ynoate Traditional Name: undec-10-ynoic acid [(2S,3S)-3-undec-10-ynoyloxy-1,4-dioxan-2-yl] ester Formula: C26H40O6 MolecularWeight: 448.5922

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCCCCCCC(=O)OC1C(OCCO1)OC(=O)CCCCCCCCC#C

Isomeric SMILES

C#CCCCCCCCCC(=O)O[C@H]1[C@@H](OCCO1)OC(=O)CCCCCCCCC#C

InChI

InChI=1S/C26H40O6/c1-3-5-7-9-11-13-15-17-19-23(27)31-25-26(30-22-21-29-25)32-24(28)20-18-16-14-12-10-8-6-4-2/h1-2,25-26H,5-22H2/t25-,26-/m0/s1