5-ethyl-7-(2-ethylhexanoyl)-8-(hydroxymethyl)-7,8-bis(oxidanyl)hexadecane-6,9-dione

Systemtic Name: 5-ethyl-7-(2-ethylhexanoyl)-8-(hydroxymethyl)-7,8-bis(oxidanyl)hexadecane-6,9-dione Openeye Name: 5-ethyl-7-(2-ethylhexanoyl)-7,8-dihydroxy-8-(hydroxymethyl)hexadecane-6,9-dione CAS Name: 5-ethyl-7-(2-ethyl-1-oxohexyl)-7,8-dihydroxy-8-(hydroxymethyl)hexadecane-6,9-dione IUPAC Name: 5-ethyl-7-(2-ethylhexanoyl)-7,8-dihydroxy-8-(hydroxymethyl)hexadecane-6,9-dione Traditional Name: 5-ethyl-7-(2-ethylhexanoyl)-7,8-dihydroxy-8-methylol-hexadecane-6,9-dione Formula: C27H50O6 MolecularWeight: 470.6823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50O6/c1-6-11-14-15-16-19-23(29)26(32,20-28)27(33,24(30)21(9-4)17-12-7-2)25(31)22(10-5)18-13-8-3/h21-22,28,32-33H,6-20H2,1-5H3