[1-[3-(3-acetyloxy-2-oxidanyl-propoxy)-2-oxidanyl-propoxy]-3-oxidanyl-propan-2-yl] docosanoate

Systemtic Name: [1-[3-(3-acetyloxy-2-oxidanyl-propoxy)-2-oxidanyl-propoxy]-3-oxidanyl-propan-2-yl] docosanoate Openeye Name: [1-[[3-(3-acetoxy-2-hydroxy-propoxy)-2-hydroxy-propoxy]methyl]-2-hydroxy-ethyl] docosanoate CAS Name: docosanoic acid [1-[3-(3-acetyloxy-2-hydroxypropoxy)-2-hydroxypropoxy]-3-hydroxypropan-2-yl] ester IUPAC Name: [1-[3-(3-acetyloxy-2-hydroxypropoxy)-2-hydroxypropoxy]-3-hydroxypropan-2-yl] docosanoate Traditional Name: behenic acid [1-[[3-(3-acetoxy-2-hydroxy-propoxy)-2-hydroxy-propoxy]methyl]-2-hydroxy-ethyl] ester Formula: C33H64O9 MolecularWeight: 604.85586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COCC(COCC(COC(=O)C)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COCC(COCC(COC(=O)C)O)O

InChI

InChI=1S/C33H64O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(38)42-32(23-34)28-40-25-30(36)24-39-26-31(37)27-41-29(2)35/h30-32,34,36-37H,3-28H2,1-2H3