6-(2-carboxyethylsulfanyl)icos-7-ynoic acid

Systemtic Name: 6-(2-carboxyethylsulfanyl)icos-7-ynoic acid Openeye Name: 6-(2-carboxyethylsulfanyl)icos-7-ynoic acid CAS Name: 6-(2-carboxyethylthio)-7-eicosynoic acid IUPAC Name: 6-(2-carboxyethylsulfanyl)icos-7-ynoic acid Traditional Name: 6-(2-carboxyethylthio)eicos-7-ynoic acid Formula: C23H40O4S MolecularWeight: 412.6263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC(CCCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC#CC(CCCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C23H40O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(28-20-19-23(26)27)17-14-15-18-22(24)25/h21H,2-12,14-15,17-20H2,1H3,(H,24,25)(H,26,27)