3-[2,3-bis(oxidanyl)propoxycarbonyl]-5-octadecoxy-3-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 3-[2,3-bis(oxidanyl)propoxycarbonyl]-5-octadecoxy-3-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 3-(2,3-dihydroxypropoxycarbonyl)-3-hydroxy-5-octadecoxy-5-oxo-pentanoic acid CAS Name: 3-[2,3-dihydroxypropoxy(oxo)methyl]-3-hydroxy-5-octadecoxy-5-oxopentanoic acid IUPAC Name: 3-(2,3-dihydroxypropoxycarbonyl)-3-hydroxy-5-octadecoxy-5-oxopentanoic acid Traditional Name: 3-glyceryloxycarbonyl-3-hydroxy-5-keto-5-stearyloxy-valeric acid Formula: C27H50O9 MolecularWeight: 518.6805

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)OCC(CO)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)OCC(CO)O)O

InChI

InChI=1S/C27H50O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35-25(32)20-27(34,19-24(30)31)26(33)36-22-23(29)21-28/h23,28-29,34H,2-22H2,1H3,(H,30,31)