bis[(2S)-2-[4-(4-methylphenoxy)butanoyloxy]-3-oxidanyl-propyl] docosanedioate

Systemtic Name: bis[(2S)-2-[4-(4-methylphenoxy)butanoyloxy]-3-oxidanyl-propyl] docosanedioate Openeye Name: bis[(2S)-3-hydroxy-2-[4-(4-methylphenoxy)butanoyloxy]propyl] docosanedioate CAS Name: docosanedioic acid bis[(2S)-3-hydroxy-2-[4-(4-methylphenoxy)-1-oxobutoxy]propyl] ester IUPAC Name: bis[(2S)-3-hydroxy-2-[4-(4-methylphenoxy)butanoyloxy]propyl] docosanedioate Traditional Name: docosanedioic acid bis[(2S)-3-hydroxy-2-[4-(4-methylphenoxy)butanoyloxy]propyl] ester Formula: C50H78O12 MolecularWeight: 871.14712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCOC2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCOC2=CC=C(C=C2)C

InChI

InChI=1S/C50H78O12/c1-41-27-31-43(32-28-41)57-35-21-25-49(55)61-45(37-51)39-59-47(53)23-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-24-48(54)60-40-46(38-52)62-50(56)26-22-36-58-44-33-29-42(2)30-34-44/h27-34,45-46,51-52H,3-26,35-40H2,1-2H3/t45-,46-/m0/s1