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

Systemtic Name: 5-ethyl-2-(2-ethylhexoxy)-3-(2-ethylhexyl)nonane-1,2,3-tricarboxylic acid Openeye Name: 5-ethyl-2-(2-ethylhexoxy)-3-(2-ethylhexyl)nonane-1,2,3-tricarboxylic acid CAS Name: 5-ethyl-2-(2-ethylhexoxy)-3-(2-ethylhexyl)nonane-1,2,3-tricarboxylic acid IUPAC Name: 5-ethyl-2-(2-ethylhexoxy)-3-(2-ethylhexyl)nonane-1,2,3-tricarboxylic acid Traditional Name: 5-ethyl-2-(2-ethylhexoxy)-3-(2-ethylhexyl)nonane-1,2,3-tricarboxylic acid Formula: C30H56O7 MolecularWeight: 528.76144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H56O7/c1-7-13-16-23(10-4)19-29(27(33)34,20-24(11-5)17-14-8-2)30(28(35)36,21-26(31)32)37-22-25(12-6)18-15-9-3/h23-25H,7-22H2,1-6H3,(H,31,32)(H,33,34)(H,35,36)