4-methylbenzenesulfonate; (2-pentadecyl-1,3-dioxolan-4-yl)methyl 6-(1,3-thiazol-3-ium-3-yl)hexyl carbonate

Systemtic Name: 4-methylbenzenesulfonate; (2-pentadecyl-1,3-dioxolan-4-yl)methyl 6-(1,3-thiazol-3-ium-3-yl)hexyl carbonate Openeye Name: 4-methylbenzenesulfonate; (2-pentadecyl-1,3-dioxolan-4-yl)methyl 6-thiazol-3-ium-3-ylhexyl carbonate CAS Name: carbonic acid (2-pentadecyl-1,3-dioxolan-4-yl)methyl 6-(3-thiazol-3-iumyl)hexyl ester; 4-methylbenzenesulfonate IUPAC Name: 4-methylbenzenesulfonate; (2-pentadecyl-1,3-dioxolan-4-yl)methyl 6-(1,3-thiazol-3-ium-3-yl)hexyl carbonate Traditional Name: carbonic acid (2-pentadecyl-1,3-dioxolan-4-yl)methyl 6-thiazol-3-ium-3-ylhexyl ester tosylate Formula: C36H59NO8S2 MolecularWeight: 697.98556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52NO5S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-28-33-24-27(35-28)25-34-29(31)32-22-18-15-14-17-20-30-21-23-36-26-30;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