1-methyloctadec-9-yne-1,2,2-tricarboxylic acid

Systemtic Name: 1-methyloctadec-9-yne-1,2,2-tricarboxylic acid Openeye Name: 1-methyloctadec-9-yne-1,2,2-tricarboxylic acid CAS Name: 1-methyl-9-octadecyne-1,2,2-tricarboxylic acid IUPAC Name: 1-methyloctadec-9-yne-1,2,2-tricarboxylic acid Traditional Name: 1-methyloctadec-9-yne-1,2,2-tricarboxylic acid Formula: C22H36O6 MolecularWeight: 396.51764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CCCCCCCC(C(C)C(=O)O)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC#CCCCCCCC(C(C)C(=O)O)(C(=O)O)C(=O)O

InChI

InChI=1S/C22H36O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(20(25)26,21(27)28)18(2)19(23)24/h18H,3-9,12-17H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)