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(2-pentadecyl-1,3-dioxolan-4-yl)methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate

(2-pentadecyl-1,3-dioxolan-4-yl)methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate

Systemtic Name:(2-pentadecyl-1,3-dioxolan-4-yl)methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate
Openeye Name:(2-pentadecyl-1,3-dioxolan-4-yl)methyl 6-thiazol-3-ium-3-ylhexanoate
CAS Name:6-(3-thiazol-3-iumyl)hexanoic acid (2-pentadecyl-1,3-dioxolan-4-yl)methyl ester
IUPAC Name:(2-pentadecyl-1,3-dioxolan-4-yl)methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate
Traditional Name:6-thiazol-3-ium-3-ylhexanoic acid (2-pentadecyl-1,3-dioxolan-4-yl)methyl ester
Formula: C28H50NO4S+
MolecularWeight: 496.7659
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCCCC[N+]2=CSC=C2


Isomeric SMILES

CCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCCCC[N+]2=CSC=C2


InChI

InChI=1S/C28H50NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-28-32-24-26(33-28)23-31-27(30)18-15-14-17-20-29-21-22-34-25-29/h21-22,25-26,28H,2-20,23-24H2,1H3/q+1


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