3-hexadecoxycarbonyl-3-oxidanyl-pentanedioic acid

Systemtic Name: 3-hexadecoxycarbonyl-3-oxidanyl-pentanedioic acid Openeye Name: 3-hexadecoxycarbonyl-3-hydroxy-pentanedioic acid CAS Name: 3-[hexadecoxy(oxo)methyl]-3-hydroxypentanedioic acid IUPAC Name: 3-hexadecoxycarbonyl-3-hydroxypentanedioic acid Traditional Name: 3-cetyloxycarbonyl-3-hydroxy-glutaric acid Formula: C22H40O7 MolecularWeight: 416.5488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)(CC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)(CC(=O)O)O

InChI

InChI=1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29-21(27)22(28,17-19(23)24)18-20(25)26/h28H,2-18H2,1H3,(H,23,24)(H,25,26)