6-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanylicos-7-ynoic acid

Systemtic Name: 6-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanylicos-7-ynoic acid Openeye Name: 6-(1-carboxypropylsulfanyl)icos-7-ynoic acid CAS Name: 6-[(1-hydroxy-1-oxobutan-2-yl)thio]-7-eicosynoic acid IUPAC Name: 6-(1-hydroxy-1-oxobutan-2-yl)sulfanylicos-7-ynoic acid Traditional Name: 6-(1-carboxypropylthio)eicos-7-ynoic acid Formula: C24H42O4S MolecularWeight: 426.65288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC(CCCCC(=O)O)SC(CC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC#CC(CCCCC(=O)O)SC(CC)C(=O)O

InChI

InChI=1S/C24H42O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-21(19-16-17-20-23(25)26)29-22(4-2)24(27)28/h21-22H,3-14,16-17,19-20H2,1-2H3,(H,25,26)(H,27,28)