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2-[(2Z,5Z,9S,11Z)-9-oxidanylheptadeca-2,5,11-trienyl]sulfanylethanoic acid

2-[(2Z,5Z,9S,11Z)-9-oxidanylheptadeca-2,5,11-trienyl]sulfanylethanoic acid

Systemtic Name:2-[(2Z,5Z,9S,11Z)-9-oxidanylheptadeca-2,5,11-trienyl]sulfanylethanoic acid
Openeye Name:2-[(2Z,5Z,9S,11Z)-9-hydroxyheptadeca-2,5,11-trienyl]sulfanylacetic acid
CAS Name:2-[[(2Z,5Z,9S,11Z)-9-hydroxyheptadeca-2,5,11-trienyl]thio]acetic acid
IUPAC Name:2-[(2Z,5Z,9S,11Z)-9-hydroxyheptadeca-2,5,11-trienyl]sulfanylacetic acid
Traditional Name:2-[[(2Z,5Z,9S,11Z)-9-hydroxyheptadeca-2,5,11-trienyl]thio]acetic acid
Formula: C19H32O3S
MolecularWeight: 340.52058
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(CCC=CCC=CCSCC(=O)O)O


Isomeric SMILES

CCCCC/C=C\C[C@H](CC/C=C\C/C=C\CSCC(=O)O)O


InChI

InChI=1S/C19H32O3S/c1-2-3-4-5-8-11-14-18(20)15-12-9-6-7-10-13-16-23-17-19(21)22/h6,8-11,13,18,20H,2-5,7,12,14-17H2,1H3,(H,21,22)/b9-6-,11-8-,13-10-/t18-/m1/s1


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