3-[1-(2-heptadecyl-1,3-dioxolan-4-yl)-8-methoxy-octyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-[1-(2-heptadecyl-1,3-dioxolan-4-yl)-8-methoxy-octyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-[1-(2-heptadecyl-1,3-dioxolan-4-yl)-8-methoxy-octyl]thiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-[1-(2-heptadecyl-1,3-dioxolan-4-yl)-8-methoxyoctyl]thiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-[1-(2-heptadecyl-1,3-dioxolan-4-yl)-8-methoxyoctyl]-1,3-thiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-[1-(2-heptadecyl-1,3-dioxolan-4-yl)-8-methoxy-octyl]thiazol-3-ium tosylate Formula: C39H67NO6S2 MolecularWeight: 710.08238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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