7-ethyl-5,5-bis(2-ethylhexyl)-2-oxidanyl-4-oxidanylidene-undecane-1,2,3-tricarboxylic acid

Systemtic Name: 7-ethyl-5,5-bis(2-ethylhexyl)-2-oxidanyl-4-oxidanylidene-undecane-1,2,3-tricarboxylic acid Openeye Name: 7-ethyl-5,5-bis(2-ethylhexyl)-2-hydroxy-4-oxo-undecane-1,2,3-tricarboxylic acid CAS Name: 7-ethyl-5,5-bis(2-ethylhexyl)-2-hydroxy-4-oxoundecane-1,2,3-tricarboxylic acid IUPAC Name: 7-ethyl-5,5-bis(2-ethylhexyl)-2-hydroxy-4-oxoundecane-1,2,3-tricarboxylic acid Traditional Name: 7-ethyl-5,5-bis(2-ethylhexyl)-2-hydroxy-4-keto-undecane-1,2,3-tricarboxylic acid Formula: C32H58O8 MolecularWeight: 570.79812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H58O8/c1-7-13-16-23(10-4)19-31(20-24(11-5)17-14-8-2,21-25(12-6)18-15-9-3)28(35)27(29(36)37)32(40,30(38)39)22-26(33)34/h23-25,27,40H,7-22H2,1-6H3,(H,33,34)(H,36,37)(H,38,39)