11-[4-ethyl-1,2-bis(oxidanyl)-3-oxidanylidene-octan-2-yl]-11-oxidanyl-henicosane-10,12-dione

Systemtic Name: 11-[4-ethyl-1,2-bis(oxidanyl)-3-oxidanylidene-octan-2-yl]-11-oxidanyl-henicosane-10,12-dione Openeye Name: 11-[3-ethyl-1-hydroxy-1-(hydroxymethyl)-2-oxo-heptyl]-11-hydroxy-henicosane-10,12-dione CAS Name: 11-(4-ethyl-1,2-dihydroxy-3-oxooctan-2-yl)-11-hydroxyheneicosane-10,12-dione IUPAC Name: 11-(4-ethyl-1,2-dihydroxy-3-oxooctan-2-yl)-11-hydroxyhenicosane-10,12-dione Traditional Name: 11-(3-ethyl-1-hydroxy-2-keto-1-methylol-heptyl)-11-hydroxy-heneicosane-10,12-dione Formula: C31H58O6 MolecularWeight: 526.78862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C(C(=O)CCCCCCCCC)(C(CO)(C(=O)C(CC)CCCC)O)O

Isomeric SMILES

CCCCCCCCCC(=O)C(C(=O)CCCCCCCCC)(C(CO)(C(=O)C(CC)CCCC)O)O

InChI

InChI=1S/C31H58O6/c1-5-9-12-14-16-18-20-23-27(33)31(37,28(34)24-21-19-17-15-13-10-6-2)30(36,25-32)29(35)26(8-4)22-11-7-3/h26,32,36-37H,5-25H2,1-4H3