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2-[(7E,9E)-18,18-bis(oxidanyl)octadeca-7,9-dien-6-yl]sulfanylethanoic acid

2-[(7E,9E)-18,18-bis(oxidanyl)octadeca-7,9-dien-6-yl]sulfanylethanoic acid

Systemtic Name:2-[(7E,9E)-18,18-bis(oxidanyl)octadeca-7,9-dien-6-yl]sulfanylethanoic acid
Openeye Name:2-[(2E,4E)-13,13-dihydroxy-1-pentyl-trideca-2,4-dienyl]sulfanylacetic acid
CAS Name:2-[[(7E,9E)-18,18-dihydroxyoctadeca-7,9-dien-6-yl]thio]acetic acid
IUPAC Name:2-[(7E,9E)-18,18-dihydroxyoctadeca-7,9-dien-6-yl]sulfanylacetic acid
Traditional Name:2-[[(2E,4E)-1-amyl-13,13-dihydroxy-trideca-2,4-dienyl]thio]acetic acid
Formula: C20H36O4S
MolecularWeight: 372.56244
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC=CCCCCCCCC(O)O)SCC(=O)O


Isomeric SMILES

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


InChI

InChI=1S/C20H36O4S/c1-2-3-11-14-18(25-17-20(23)24)15-12-9-7-5-4-6-8-10-13-16-19(21)22/h7,9,12,15,18-19,21-22H,2-6,8,10-11,13-14,16-17H2,1H3,(H,23,24)/b9-7+,15-12+


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