3-dodecyl-3,4,5-tris(oxidanyl)heptadecan-2-one

Systemtic Name: 3-dodecyl-3,4,5-tris(oxidanyl)heptadecan-2-one Openeye Name: 3-dodecyl-3,4,5-trihydroxy-heptadecan-2-one CAS Name: 3-dodecyl-3,4,5-trihydroxy-2-heptadecanone IUPAC Name: 3-dodecyl-3,4,5-trihydroxyheptadecan-2-one Traditional Name: 3,4,5-trihydroxy-3-lauryl-heptadecan-2-one Formula: C29H58O4 MolecularWeight: 470.76842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(C(CCCCCCCCCCCC)(C(=O)C)O)O)O

Isomeric SMILES

CCCCCCCCCCCCC(C(C(CCCCCCCCCCCC)(C(=O)C)O)O)O

InChI

InChI=1S/C29H58O4/c1-4-6-8-10-12-14-16-18-20-22-24-27(31)28(32)29(33,26(3)30)25-23-21-19-17-15-13-11-9-7-5-2/h27-28,31-33H,4-25H2,1-3H3