3-[1,2-bis(oxidanyl)ethyl]-5-hexadecyl-3-oxidanyl-henicosane-2,4,6-trione

Systemtic Name: 3-[1,2-bis(oxidanyl)ethyl]-5-hexadecyl-3-oxidanyl-henicosane-2,4,6-trione Openeye Name: 3-(1,2-dihydroxyethyl)-5-hexadecyl-3-hydroxy-henicosane-2,4,6-trione CAS Name: 3-(1,2-dihydroxyethyl)-5-hexadecyl-3-hydroxyheneicosane-2,4,6-trione IUPAC Name: 3-(1,2-dihydroxyethyl)-5-hexadecyl-3-hydroxyhenicosane-2,4,6-trione Traditional Name: 5-cetyl-3-(1,2-dihydroxyethyl)-3-hydroxy-heneicosane-2,4,6-trione Formula: C39H74O6 MolecularWeight: 639.00126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)CCCCCCCCCCCCCCC)C(=O)C(C(CO)O)(C(=O)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)CCCCCCCCCCCCCCC)C(=O)C(C(CO)O)(C(=O)C)O

InChI

InChI=1S/C39H74O6/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-35(38(44)39(45,34(3)41)37(43)33-40)36(42)32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h35,37,40,43,45H,4-33H2,1-3H3