3-(pyridin-1-ium-1-ylmethyl)benzenesulfonic acid

Systemtic Name: 3-(pyridin-1-ium-1-ylmethyl)benzenesulfonic acid Openeye Name: 3-(pyridin-1-ium-1-ylmethyl)benzenesulfonic acid CAS Name: 3-(1-pyridin-1-iumylmethyl)benzenesulfonic acid IUPAC Name: 3-(pyridin-1-ium-1-ylmethyl)benzenesulfonic acid Traditional Name: 3-(pyridin-1-ium-1-ylmethyl)besylic acid Formula: C12H12NO3S+ MolecularWeight: 250.29358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C12H11NO3S/c14-17(15,16)12-6-4-5-11(9-12)10-13-7-2-1-3-8-13/h1-9H,10H2/p+1