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

Systemtic Name: 4-methylbenzenesulfonate; 3-[6-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-1,3-thiazol-3-ium Openeye Name: 4-methylbenzenesulfonate; 3-[6-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]thiazol-3-ium CAS Name: 4-methylbenzenesulfonate; 3-[6-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]thiazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 3-[6-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-1,3-thiazol-3-ium Traditional Name: 3-[6-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]thiazol-3-ium tosylate Formula: C35H59NO6S2 MolecularWeight: 653.97606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1OCC(O1)COCCCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC1OCC(O1)COCCCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C28H52NO3S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-28-31-25-27(32-28)24-30-22-18-15-14-17-20-29-21-23-33-26-29;1-6-2-4-7(5-3-6)11(8,9)10/h21,23,26-28H,2-20,22,24-25H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1