benzenesulfonic acid; 1-dodecylpyridin-1-ium-2-carbonitrile

Systemtic Name: benzenesulfonic acid; 1-dodecylpyridin-1-ium-2-carbonitrile Openeye Name: benzenesulfonic acid; 1-dodecylpyridin-1-ium-2-carbonitrile CAS Name: benzenesulfonic acid; 1-dodecyl-2-pyridin-1-iumcarbonitrile IUPAC Name: benzenesulfonic acid; 1-dodecylpyridin-1-ium-2-carbonitrile Traditional Name: besylic acid; 1-laurylpyridin-1-ium-2-carbonitrile Formula: C24H35N2O3S+ MolecularWeight: 431.6113

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC=C1C#N.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC=C1C#N.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C18H29N2.C6H6O3S/c1-2-3-4-5-6-7-8-9-10-12-15-20-16-13-11-14-18(20)17-19;7-10(8,9)6-4-2-1-3-5-6/h11,13-14,16H,2-10,12,15H2,1H3;1-5H,(H,7,8,9)/q+1;