1,3-dimethyloctane-1,3,8-tricarboxylic acid

Systemtic Name: 1,3-dimethyloctane-1,3,8-tricarboxylic acid Openeye Name: 1,3-dimethyloctane-1,3,8-tricarboxylic acid CAS Name: 1,3-dimethyloctane-1,3,8-tricarboxylic acid IUPAC Name: 1,3-dimethyloctane-1,3,8-tricarboxylic acid Traditional Name: 1,3-dimethyloctane-1,3,8-tricarboxylic acid Formula: C13H22O6 MolecularWeight: 274.31018

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(CCCCCC(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(CC(C)(CCCCCC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C13H22O6/c1-9(11(16)17)8-13(2,12(18)19)7-5-3-4-6-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)