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2-[(E)-20,20-bis(oxidanyl)icos-7-en-6-yl]sulfanylethanoic acid

2-[(E)-20,20-bis(oxidanyl)icos-7-en-6-yl]sulfanylethanoic acid

Systemtic Name:2-[(E)-20,20-bis(oxidanyl)icos-7-en-6-yl]sulfanylethanoic acid
Openeye Name:2-[(E)-15,15-dihydroxy-1-pentyl-pentadec-2-enyl]sulfanylacetic acid
CAS Name:2-[[(E)-20,20-dihydroxyeicos-7-en-6-yl]thio]acetic acid
IUPAC Name:2-[(E)-20,20-dihydroxyicos-7-en-6-yl]sulfanylacetic acid
Traditional Name:2-[[(E)-1-amyl-15,15-dihydroxy-pentadec-2-enyl]thio]acetic acid
Formula: C22H42O4S
MolecularWeight: 402.63148
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CCCCCCCCCCCCC(O)O)SCC(=O)O


Isomeric SMILES

CCCCCC(/C=C/CCCCCCCCCCCC(O)O)SCC(=O)O


InChI

InChI=1S/C22H42O4S/c1-2-3-13-16-20(27-19-22(25)26)17-14-11-9-7-5-4-6-8-10-12-15-18-21(23)24/h14,17,20-21,23-24H,2-13,15-16,18-19H2,1H3,(H,25,26)/b17-14+


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