5-ethyl-3-(2-ethylhexyl)-2-oxidanyl-nonane-1,2,3-tricarboxylic acid

Systemtic Name: 5-ethyl-3-(2-ethylhexyl)-2-oxidanyl-nonane-1,2,3-tricarboxylic acid Openeye Name: 5-ethyl-3-(2-ethylhexyl)-2-hydroxy-nonane-1,2,3-tricarboxylic acid CAS Name: 5-ethyl-3-(2-ethylhexyl)-2-hydroxynonane-1,2,3-tricarboxylic acid IUPAC Name: 5-ethyl-3-(2-ethylhexyl)-2-hydroxynonane-1,2,3-tricarboxylic acid Traditional Name: 5-ethyl-3-(2-ethylhexyl)-2-hydroxy-nonane-1,2,3-tricarboxylic acid Formula: C22H40O7 MolecularWeight: 416.5488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(CC)CCCC)(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCC(CC)CC(CC(CC)CCCC)(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C22H40O7/c1-5-9-11-16(7-3)13-21(19(25)26,14-17(8-4)12-10-6-2)22(29,20(27)28)15-18(23)24/h16-17,29H,5-15H2,1-4H3,(H,23,24)(H,25,26)(H,27,28)