3-[1-(2-heptadecyl-1,3-dioxolan-4-yl)-5-methoxy-pentyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-[1-(2-heptadecyl-1,3-dioxolan-4-yl)-5-methoxy-pentyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-[1-(2-heptadecyl-1,3-dioxolan-4-yl)-5-methoxy-pentyl]thiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-[1-(2-heptadecyl-1,3-dioxolan-4-yl)-5-methoxypentyl]thiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-[1-(2-heptadecyl-1,3-dioxolan-4-yl)-5-methoxypentyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-[1-(2-heptadecyl-1,3-dioxolan-4-yl)-5-methoxy-pentyl]thiazol-3-ium tosylate Formula: C36H61NO6S2 MolecularWeight: 668.00264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H54NO3S.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-32-25-28(33-29)27(20-18-19-23-31-2)30-22-24-34-26-30;1-6-2-4-7(5-3-6)11(8,9)10/h22,24,26-29H,3-21,23,25H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1