[(2S)-2-hexadec-15-ynoyloxy-3-phenylmethoxy-propyl] hexadec-15-ynoate

Systemtic Name: [(2S)-2-hexadec-15-ynoyloxy-3-phenylmethoxy-propyl] hexadec-15-ynoate Openeye Name: [(2S)-3-benzyloxy-2-hexadec-15-ynoyloxy-propyl] hexadec-15-ynoate CAS Name: 15-hexadecynoic acid [(2S)-2-(1-oxohexadec-15-ynoxy)-3-phenylmethoxypropyl] ester IUPAC Name: [(2S)-2-hexadec-15-ynoyloxy-3-phenylmethoxypropyl] hexadec-15-ynoate Traditional Name: hexadec-15-ynoic acid [(2S)-3-benzoxy-2-hexadec-15-ynoyloxy-propyl] ester Formula: C42H66O5 MolecularWeight: 650.97044

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCCCCCCCCCCCC(=O)OCC(COCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCC#C

Isomeric SMILES

C#CCCCCCCCCCCCCCC(=O)OC[C@H](COCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCC#C

InChI

InChI=1S/C42H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(43)46-38-40(37-45-36-39-32-28-27-29-33-39)47-42(44)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h1-2,27-29,32-33,40H,5-26,30-31,34-38H2/t40-/m0/s1