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5-(1,3-thiazol-3-ium-3-yl)pentyl 4-hexadecyloxolane-2-carboxylate

5-(1,3-thiazol-3-ium-3-yl)pentyl 4-hexadecyloxolane-2-carboxylate

Systemtic Name:5-(1,3-thiazol-3-ium-3-yl)pentyl 4-hexadecyloxolane-2-carboxylate
Openeye Name:5-thiazol-3-ium-3-ylpentyl 4-hexadecyltetrahydrofuran-2-carboxylate
CAS Name:4-hexadecyl-2-oxolanecarboxylic acid 5-(3-thiazol-3-iumyl)pentyl ester
IUPAC Name:5-(1,3-thiazol-3-ium-3-yl)pentyl 4-hexadecyloxolane-2-carboxylate
Traditional Name:4-cetyltetrahydrofuran-2-carboxylic acid 5-thiazol-3-ium-3-ylpentyl ester
Formula: C29H52NO3S+
MolecularWeight: 494.79308
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1CC(OC1)C(=O)OCCCCC[N+]2=CSC=C2


Isomeric SMILES

CCCCCCCCCCCCCCCCC1CC(OC1)C(=O)OCCCCC[N+]2=CSC=C2


InChI

InChI=1S/C29H52NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-27-24-28(33-25-27)29(31)32-22-18-15-17-20-30-21-23-34-26-30/h21,23,26-28H,2-20,22,24-25H2,1H3/q+1


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