11-methyl-2-oxidanyl-dodecane-1,2,3-tricarboxylic acid

Systemtic Name: 11-methyl-2-oxidanyl-dodecane-1,2,3-tricarboxylic acid Openeye Name: 2-hydroxy-11-methyl-dodecane-1,2,3-tricarboxylic acid CAS Name: 2-hydroxy-11-methyldodecane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxy-11-methyldodecane-1,2,3-tricarboxylic acid Traditional Name: 2-hydroxy-11-methyl-dodecane-1,2,3-tricarboxylic acid Formula: C16H28O7 MolecularWeight: 332.38932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC(C)CCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C16H28O7/c1-11(2)8-6-4-3-5-7-9-12(14(19)20)16(23,15(21)22)10-13(17)18/h11-12,23H,3-10H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)