1-(14-methylpentadecanoyloxy)-2-oxidanyl-propane-1,2,3-tricarboxylic acid

Systemtic Name: 1-(14-methylpentadecanoyloxy)-2-oxidanyl-propane-1,2,3-tricarboxylic acid Openeye Name: 2-hydroxy-1-(14-methylpentadecanoyloxy)propane-1,2,3-tricarboxylic acid CAS Name: 2-hydroxy-1-(14-methyl-1-oxopentadecoxy)propane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxy-1-(14-methylpentadecanoyloxy)propane-1,2,3-tricarboxylic acid Traditional Name: 2-hydroxy-1-(14-methylpentadecanoyloxy)propane-1,2,3-tricarboxylic acid Formula: C22H38O9 MolecularWeight: 446.53172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCC(=O)OC(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCC(=O)OC(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C22H38O9/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-18(25)31-19(20(26)27)22(30,21(28)29)15-17(23)24/h16,19,30H,3-15H2,1-2H3,(H,23,24)(H,26,27)(H,28,29)