1-pyridin-3-ylcyclohexa-2,5-diene-1-sulfonic acid

Systemtic Name: 1-pyridin-3-ylcyclohexa-2,5-diene-1-sulfonic acid Openeye Name: 1-(3-pyridyl)cyclohexa-2,5-diene-1-sulfonic acid CAS Name: 1-(3-pyridinyl)-1-cyclohexa-2,5-dienesulfonic acid IUPAC Name: 1-pyridin-3-ylcyclohexa-2,5-diene-1-sulfonic acid Traditional Name: 1-(3-pyridyl)cyclohexa-2,5-diene-1-sulfonic acid Formula: C11H11NO3S MolecularWeight: 237.27494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C=C1)(C2=CN=CC=C2)S(=O)(=O)O

Isomeric SMILES

C1C=CC(C=C1)(C2=CN=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C11H11NO3S/c13-16(14,15)11(6-2-1-3-7-11)10-5-4-8-12-9-10/h2-9H,1H2,(H,13,14,15)