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

Systemtic Name: 5-ethyl-7-(2-ethylhexanoyl)-8-(hydroxymethyl)-7,8-bis(oxidanyl)tetradecane-6,9-dione Openeye Name: 5-ethyl-7-(2-ethylhexanoyl)-7,8-dihydroxy-8-(hydroxymethyl)tetradecane-6,9-dione CAS Name: 5-ethyl-7-(2-ethyl-1-oxohexyl)-7,8-dihydroxy-8-(hydroxymethyl)tetradecane-6,9-dione IUPAC Name: 5-ethyl-7-(2-ethylhexanoyl)-7,8-dihydroxy-8-(hydroxymethyl)tetradecane-6,9-dione Traditional Name: 5-ethyl-7-(2-ethylhexanoyl)-7,8-dihydroxy-8-methylol-tetradecane-6,9-dione Formula: C25H46O6 MolecularWeight: 442.62914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H46O6/c1-6-11-14-17-21(27)24(30,18-26)25(31,22(28)19(9-4)15-12-7-2)23(29)20(10-5)16-13-8-3/h19-20,26,30-31H,6-18H2,1-5H3