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

Systemtic Name: 6-(1-oxidanyl-1-oxidanylidene-hexan-2-yl)sulfanylicos-7-ynoic acid Openeye Name: 6-(1-carboxypentylsulfanyl)icos-7-ynoic acid CAS Name: 6-[(1-hydroxy-1-oxohexan-2-yl)thio]-7-eicosynoic acid IUPAC Name: 6-(1-hydroxy-1-oxohexan-2-yl)sulfanylicos-7-ynoic acid Traditional Name: 6-(1-carboxypentylthio)eicos-7-ynoic acid Formula: C26H46O4S MolecularWeight: 454.70604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H46O4S/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-23(20-17-18-22-25(27)28)31-24(26(29)30)21-6-4-2/h23-24H,3-15,17-18,20-22H2,1-2H3,(H,27,28)(H,29,30)