2-[2-[3-[(E)-octadec-9-enoyl]oxy-2-oxidanyl-propoxy]-2-oxidanylidene-ethyl]-4-octadecoxy-2-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[2-[3-[(E)-octadec-9-enoyl]oxy-2-oxidanyl-propoxy]-2-oxidanylidene-ethyl]-4-octadecoxy-2-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: 2-hydroxy-2-[2-[2-hydroxy-3-[(E)-octadec-9-enoyl]oxy-propoxy]-2-oxo-ethyl]-4-octadecoxy-4-oxo-butanoic acid CAS Name: 2-hydroxy-2-[2-[2-hydroxy-3-[(E)-1-oxooctadec-9-enoxy]propoxy]-2-oxoethyl]-4-octadecoxy-4-oxobutanoic acid IUPAC Name: 2-hydroxy-2-[2-[2-hydroxy-3-[(E)-octadec-9-enoyl]oxypropoxy]-2-oxoethyl]-4-octadecoxy-4-oxobutanoic acid Traditional Name: 2-hydroxy-2-[2-[2-hydroxy-3-[(E)-octadec-9-enoyl]oxy-propoxy]-2-keto-ethyl]-4-keto-4-stearyloxy-butyric acid Formula: C45H82O10 MolecularWeight: 783.12658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)OCC(COC(=O)CCCCCCC/C=C/CCCCCCCC)O)(C(=O)O)O

InChI

InChI=1S/C45H82O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-53-42(48)36-45(52,44(50)51)37-43(49)55-39-40(46)38-54-41(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,40,46,52H,3-17,19,21-39H2,1-2H3,(H,50,51)/b20-18+