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

Systemtic Name: 4-methylbenzenesulfonate; 3-[6-[(2-nonadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-1,3-thiazol-3-ium Openeye Name: 4-methylbenzenesulfonate; 3-[6-[(2-nonadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]thiazol-3-ium CAS Name: 4-methylbenzenesulfonate; 3-[6-[(2-nonadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]thiazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 3-[6-[(2-nonadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]-1,3-thiazol-3-ium Traditional Name: 3-[6-[(2-nonadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]thiazol-3-ium tosylate Formula: C39H67NO6S2 MolecularWeight: 710.08238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC1OCC(O1)COCCCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC1OCC(O1)COCCCCCC[N+]2=CSC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C32H60NO3S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-32-35-29-31(36-32)28-34-26-22-19-18-21-24-33-25-27-37-30-33;1-6-2-4-7(5-3-6)11(8,9)10/h25,27,30-32H,2-24,26,28-29H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1