3,4-bis(oxidanyl)docos-5-ynoic acid

Systemtic Name: 3,4-bis(oxidanyl)docos-5-ynoic acid Openeye Name: 3,4-dihydroxydocos-5-ynoic acid CAS Name: 3,4-dihydroxy-5-docosynoic acid IUPAC Name: 3,4-dihydroxydocos-5-ynoic acid Traditional Name: 3,4-dihydroxydocos-5-ynoic acid Formula: C22H40O4 MolecularWeight: 368.5506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC#CC(C(CC(=O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC#CC(C(CC(=O)O)O)O

InChI

InChI=1S/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)21(24)19-22(25)26/h20-21,23-24H,2-16,19H2,1H3,(H,25,26)