benzenesulfonic acid; 1-dodecylpyridin-1-ium-4-carbonitrile

Systemtic Name: benzenesulfonic acid; 1-dodecylpyridin-1-ium-4-carbonitrile Openeye Name: benzenesulfonic acid; 1-dodecylpyridin-1-ium-4-carbonitrile CAS Name: benzenesulfonic acid; 1-dodecyl-4-pyridin-1-iumcarbonitrile IUPAC Name: benzenesulfonic acid; 1-dodecylpyridin-1-ium-4-carbonitrile Traditional Name: besylic acid; 1-laurylpyridin-1-ium-4-carbonitrile Formula: C24H35N2O3S+ MolecularWeight: 431.6113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N2.C6H6O3S/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-18(17-19)13-16-20;7-10(8,9)6-4-2-1-3-5-6/h12-13,15-16H,2-11,14H2,1H3;1-5H,(H,7,8,9)/q+1;