9-(2-ethylhexanoyl)-10-(hydroxymethyl)-9,10-bis(oxidanyl)octadecane-8,11-dione

Systemtic Name: 9-(2-ethylhexanoyl)-10-(hydroxymethyl)-9,10-bis(oxidanyl)octadecane-8,11-dione Openeye Name: 9-(2-ethylhexanoyl)-9,10-dihydroxy-10-(hydroxymethyl)octadecane-8,11-dione CAS Name: 9-(2-ethyl-1-oxohexyl)-9,10-dihydroxy-10-(hydroxymethyl)octadecane-8,11-dione IUPAC Name: 9-(2-ethylhexanoyl)-9,10-dihydroxy-10-(hydroxymethyl)octadecane-8,11-dione Traditional Name: 9-(2-ethylhexanoyl)-9,10-dihydroxy-10-methylol-octadecane-8,11-dione Formula: C27H50O6 MolecularWeight: 470.6823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C(CO)(C(C(=O)CCCCCCC)(C(=O)C(CC)CCCC)O)O

Isomeric SMILES

CCCCCCCC(=O)C(CO)(C(C(=O)CCCCCCC)(C(=O)C(CC)CCCC)O)O

InChI

InChI=1S/C27H50O6/c1-5-9-12-14-16-19-23(29)26(32,21-28)27(33,24(30)20-17-15-13-10-6-2)25(31)22(8-4)18-11-7-3/h22,28,32-33H,5-21H2,1-4H3