[3-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,2-bis[8-(3-octyloxiran-2-yl)octanoyloxymethyl]propyl] 8-(3-octyloxiran-2-yl)octanoate

Systemtic Name: [3-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,2-bis[8-(3-octyloxiran-2-yl)octanoyloxymethyl]propyl] 8-(3-octyloxiran-2-yl)octanoate Openeye Name: [3-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,2-bis[8-(3-octyloxiran-2-yl)octanoyloxymethyl]propyl] 8-(3-octyloxiran-2-yl)octanoate CAS Name: 8-(3-octyl-2-oxiranyl)octanoic acid [3-[8-(3-octyl-2-oxiranyl)-1-oxooctoxy]-2,2-bis[[8-(3-octyl-2-oxiranyl)-1-oxooctoxy]methyl]propyl] ester IUPAC Name: [3-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,2-bis[8-(3-octyloxiran-2-yl)octanoyloxymethyl]propyl] 8-(3-octyloxiran-2-yl)octanoate Traditional Name: 8-(3-octyloxiran-2-yl)caprylic acid [3-[8-(3-octyloxiran-2-yl)octanoyloxy]-2,2-bis[8-(3-octyloxiran-2-yl)octanoyloxymethyl]propyl] ester Formula: C77H140O12 MolecularWeight: 1257.9283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC2C(O2)CCCCCCCC)(COC(=O)CCCCCCCC3C(O3)CCCCCCCC)COC(=O)CCCCCCCC4C(O4)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC2C(O2)CCCCCCCC)(COC(=O)CCCCCCCC3C(O3)CCCCCCCC)COC(=O)CCCCCCCC4C(O4)CCCCCCCC

InChI

InChI=1S/C77H140O12/c1-5-9-13-17-25-37-49-65-69(86-65)53-41-29-21-33-45-57-73(78)82-61-77(62-83-74(79)58-46-34-22-30-42-54-70-66(87-70)50-38-26-18-14-10-6-2,63-84-75(80)59-47-35-23-31-43-55-71-67(88-71)51-39-27-19-15-11-7-3)64-85-76(81)60-48-36-24-32-44-56-72-68(89-72)52-40-28-20-16-12-8-4/h65-72H,5-64H2,1-4H3