3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]thiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]thiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]thiazol-3-ium tosylate Formula: C37H63NO6S2 MolecularWeight: 682.02922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)COCCCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)COCCCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C30H56NO3S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-33-27-29(34-30)26-32-24-20-17-16-19-22-31-23-25-35-28-31;1-6-2-4-7(5-3-6)11(8,9)10/h23,25,28-30H,2-22,24,26-27H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1