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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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