3-hexadecyl-3-oxidanyl-pentanedioic acid

Systemtic Name: 3-hexadecyl-3-oxidanyl-pentanedioic acid Openeye Name: 3-hexadecyl-3-hydroxy-pentanedioic acid CAS Name: 3-hexadecyl-3-hydroxypentanedioic acid IUPAC Name: 3-hexadecyl-3-hydroxypentanedioic acid Traditional Name: 3-cetyl-3-hydroxy-glutaric acid Formula: C21H40O5 MolecularWeight: 372.5393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC(=O)O)(CC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC(=O)O)(CC(=O)O)O

InChI

InChI=1S/C21H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(26,17-19(22)23)18-20(24)25/h26H,2-18H2,1H3,(H,22,23)(H,24,25)