4-methylbenzenesulfonate; 3-[7-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]heptyl]-1,3-thiazol-3-ium

Systemtic Name: 4-methylbenzenesulfonate; 3-[7-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]heptyl]-1,3-thiazol-3-ium Openeye Name: 4-methylbenzenesulfonate; 3-[7-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]heptyl]thiazol-3-ium CAS Name: 4-methylbenzenesulfonate; 3-[7-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]heptyl]thiazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 3-[7-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]heptyl]-1,3-thiazol-3-ium Traditional Name: 3-[7-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]heptyl]thiazol-3-ium tosylate Formula: C36H61NO6S2 MolecularWeight: 668.00264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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