14-(carboxymethyl)-2,2-dimethyl-14-oxidanyl-hexadecanedioic acid

Systemtic Name: 14-(carboxymethyl)-2,2-dimethyl-14-oxidanyl-hexadecanedioic acid Openeye Name: 14-(carboxymethyl)-14-hydroxy-2,2-dimethyl-hexadecanedioic acid CAS Name: 14-(carboxymethyl)-14-hydroxy-2,2-dimethylhexadecanedioic acid IUPAC Name: 14-(carboxymethyl)-14-hydroxy-2,2-dimethylhexadecanedioic acid Traditional Name: 14-(carboxymethyl)-14-hydroxy-2,2-dimethyl-thapsic acid Formula: C20H36O7 MolecularWeight: 388.49564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCCCCCCCC(CC(=O)O)(CC(=O)O)O)C(=O)O

Isomeric SMILES

CC(C)(CCCCCCCCCCCC(CC(=O)O)(CC(=O)O)O)C(=O)O

InChI

InChI=1S/C20H36O7/c1-19(2,18(25)26)12-10-8-6-4-3-5-7-9-11-13-20(27,14-16(21)22)15-17(23)24/h27H,3-15H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)