[(2S)-2-[4-(4-methylphenoxy)butanoyloxy]-3-phenylmethoxy-propyl] undec-10-ynoate

Systemtic Name: [(2S)-2-[4-(4-methylphenoxy)butanoyloxy]-3-phenylmethoxy-propyl] undec-10-ynoate Openeye Name: [(2S)-3-benzyloxy-2-[4-(4-methylphenoxy)butanoyloxy]propyl] undec-10-ynoate CAS Name: 10-undecynoic acid [(2S)-2-[4-(4-methylphenoxy)-1-oxobutoxy]-3-phenylmethoxypropyl] ester IUPAC Name: [(2S)-2-[4-(4-methylphenoxy)butanoyloxy]-3-phenylmethoxypropyl] undec-10-ynoate Traditional Name: undec-10-ynoic acid [(2S)-3-benzoxy-2-[4-(4-methylphenoxy)butanoyloxy]propyl] ester Formula: C32H42O6 MolecularWeight: 522.67228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)OC(COCC2=CC=CC=C2)COC(=O)CCCCCCCCC#C

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)O[C@@H](COCC2=CC=CC=C2)COC(=O)CCCCCCCCC#C

InChI

InChI=1S/C32H42O6/c1-3-4-5-6-7-8-9-13-17-31(33)37-26-30(25-35-24-28-15-11-10-12-16-28)38-32(34)18-14-23-36-29-21-19-27(2)20-22-29/h1,10-12,15-16,19-22,30H,4-9,13-14,17-18,23-26H2,2H3/t30-/m0/s1