bis[(2S)-2-[4-(4-methylphenoxy)butanoyloxy]-3-phenylmethoxy-propyl] docosa-10,12-diynedioate

Systemtic Name: bis[(2S)-2-[4-(4-methylphenoxy)butanoyloxy]-3-phenylmethoxy-propyl] docosa-10,12-diynedioate Openeye Name: bis[(2S)-3-benzyloxy-2-[4-(4-methylphenoxy)butanoyloxy]propyl] docosa-10,12-diynedioate CAS Name: docosa-10,12-diynedioic acid bis[(2S)-2-[4-(4-methylphenoxy)-1-oxobutoxy]-3-phenylmethoxypropyl] ester IUPAC Name: bis[(2S)-2-[4-(4-methylphenoxy)butanoyloxy]-3-phenylmethoxypropyl] docosa-10,12-diynedioate Traditional Name: docosa-10,12-diynedioic acid bis[(2S)-3-benzoxy-2-[4-(4-methylphenoxy)butanoyloxy]propyl] ester Formula: C64H82O12 MolecularWeight: 1043.32868

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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#CC#CCCCCCCCCC(=O)OCC(COCC3=CC=CC=C3)OC(=O)CCCOC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)O[C@@H](COCC2=CC=CC=C2)COC(=O)CCCCCCCCC#CC#CCCCCCCCCC(=O)OC[C@H](COCC3=CC=CC=C3)OC(=O)CCCOC4=CC=C(C=C4)C

InChI

InChI=1S/C64H82O12/c1-53-37-41-57(42-38-53)71-45-27-35-63(67)75-59(49-69-47-55-29-21-19-22-30-55)51-73-61(65)33-25-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-26-34-62(66)74-52-60(50-70-48-56-31-23-20-24-32-56)76-64(68)36-28-46-72-58-43-39-54(2)40-44-58/h19-24,29-32,37-44,59-60H,7-18,25-28,33-36,45-52H2,1-2H3/t59-,60-/m0/s1