3-(5-chloranyl-2-methyl-1,3-benzoselenazol-3-ium-3-yl)propane-1-sulfonic acid

Systemtic Name: 3-(5-chloranyl-2-methyl-1,3-benzoselenazol-3-ium-3-yl)propane-1-sulfonic acid Openeye Name: 3-(5-chloro-2-methyl-1,3-benzoselenazol-3-ium-3-yl)propane-1-sulfonic acid CAS Name: 3-(5-chloro-2-methyl-1,3-benzoselenazol-3-ium-3-yl)-1-propanesulfonic acid IUPAC Name: 3-(5-chloro-2-methyl-1,3-benzoselenazol-3-ium-3-yl)propane-1-sulfonic acid Traditional Name: 3-(5-chloro-2-methyl-1,3-benzoselenazol-3-ium-3-yl)propane-1-sulfonic acid Formula: C11H13ClNO3SSe+ MolecularWeight: 353.70382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C([Se]1)C=CC(=C2)Cl)CCCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=C([Se]1)C=CC(=C2)Cl)CCCS(=O)(=O)O

InChI

InChI=1S/C11H12ClNO3SSe/c1-8-13(5-2-6-17(14,15)16)10-7-9(12)3-4-11(10)18-8/h3-4,7H,2,5-6H2,1H3/p+1