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

Systemtic Name: 4-methylbenzenesulfonate; 3-[4-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]butyl]-1,3-thiazol-3-ium Openeye Name: 4-methylbenzenesulfonate; 3-[4-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]butyl]thiazol-3-ium CAS Name: 4-methylbenzenesulfonate; 3-[4-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]butyl]thiazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 3-[4-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]butyl]-1,3-thiazol-3-ium Traditional Name: 3-[4-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]butyl]thiazol-3-ium tosylate Formula: C33H55NO6S2 MolecularWeight: 625.9229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H48NO3S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26-29-23-25(30-26)22-28-20-16-15-18-27-19-21-31-24-27;1-6-2-4-7(5-3-6)11(8,9)10/h19,21,24-26H,2-18,20,22-23H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1