13-[1,2-bis(oxidanyl)-3-oxidanylidene-dodecan-2-yl]-13-oxidanyl-pentacosane-12,14-dione

Systemtic Name: 13-[1,2-bis(oxidanyl)-3-oxidanylidene-dodecan-2-yl]-13-oxidanyl-pentacosane-12,14-dione Openeye Name: 13-hydroxy-13-[1-hydroxy-1-(hydroxymethyl)-2-oxo-undecyl]pentacosane-12,14-dione CAS Name: 13-(1,2-dihydroxy-3-oxododecan-2-yl)-13-hydroxypentacosane-12,14-dione IUPAC Name: 13-(1,2-dihydroxy-3-oxododecan-2-yl)-13-hydroxypentacosane-12,14-dione Traditional Name: 13-hydroxy-13-(1-hydroxy-2-keto-1-methylol-undecyl)pentacosane-12,14-dione Formula: C37H70O6 MolecularWeight: 610.9481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C(C(=O)CCCCCCCCCCC)(C(CO)(C(=O)CCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C(C(=O)CCCCCCCCCCC)(C(CO)(C(=O)CCCCCCCCC)O)O

InChI

InChI=1S/C37H70O6/c1-4-7-10-13-16-18-21-24-27-30-34(40)37(43,35(41)31-28-25-22-19-17-14-11-8-5-2)36(42,32-38)33(39)29-26-23-20-15-12-9-6-3/h38,42-43H,4-32H2,1-3H3