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

Systemtic Name: 4-methylbenzenesulfonate; 1-[8-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]octyl]pyridin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-[8-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]octyl]pyridin-1-ium CAS Name: 4-methylbenzenesulfonate; 1-[8-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]octyl]pyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-[8-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]octyl]pyridin-1-ium Traditional Name: 1-[8-[(2-pentadecyl-1,3-dioxolan-4-yl)methoxy]octyl]pyridin-1-ium tosylate Formula: C39H65NO6S MolecularWeight: 676.0015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H58NO3.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-24-32-35-30-31(36-32)29-34-28-23-17-14-13-16-20-25-33-26-21-18-22-27-33;1-6-2-4-7(5-3-6)11(8,9)10/h18,21-22,26-27,31-32H,2-17,19-20,23-25,28-30H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1