5-(hydroxymethyl)-4-octadecyl-2,4,5-tris(oxidanyl)tricosan-3-one

Systemtic Name: 5-(hydroxymethyl)-4-octadecyl-2,4,5-tris(oxidanyl)tricosan-3-one Openeye Name: 2,4,5-trihydroxy-5-(hydroxymethyl)-4-octadecyl-tricosan-3-one CAS Name: 2,4,5-trihydroxy-5-(hydroxymethyl)-4-octadecyl-3-tricosanone IUPAC Name: 2,4,5-trihydroxy-5-(hydroxymethyl)-4-octadecyltricosan-3-one Traditional Name: 2,4,5-trihydroxy-5-methylol-4-stearyl-tricosan-3-one Formula: C42H84O5 MolecularWeight: 669.11336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CO)(C(CCCCCCCCCCCCCCCCCC)(C(=O)C(C)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CO)(C(CCCCCCCCCCCCCCCCCC)(C(=O)C(C)O)O)O

InChI

InChI=1S/C42H84O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(46,38-43)42(47,40(45)39(3)44)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h39,43-44,46-47H,4-38H2,1-3H3