3-(2-methyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonic acid

Systemtic Name: 3-(2-methyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonic acid Openeye Name: 3-(2-methyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonic acid CAS Name: 3-(2-methyl-1,3-benzoxazol-3-ium-3-yl)-1-propanesulfonic acid IUPAC Name: 3-(2-methyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonic acid Traditional Name: 3-(2-methyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonic acid Formula: C11H14NO4S+ MolecularWeight: 256.29816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2O1)CCCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2O1)CCCS(=O)(=O)O

InChI

InChI=1S/C11H13NO4S/c1-9-12(7-4-8-17(13,14)15)10-5-2-3-6-11(10)16-9/h2-3,5-6H,4,7-8H2,1H3/p+1