4-(5-methoxy-2-methyl-1,3-benzoselenazol-3-ium-3-yl)butane-1-sulfonic acid

Systemtic Name: 4-(5-methoxy-2-methyl-1,3-benzoselenazol-3-ium-3-yl)butane-1-sulfonic acid Openeye Name: 4-(5-methoxy-2-methyl-1,3-benzoselenazol-3-ium-3-yl)butane-1-sulfonic acid CAS Name: 4-(5-methoxy-2-methyl-1,3-benzoselenazol-3-ium-3-yl)-1-butanesulfonic acid IUPAC Name: 4-(5-methoxy-2-methyl-1,3-benzoselenazol-3-ium-3-yl)butane-1-sulfonic acid Traditional Name: 4-(5-methoxy-2-methyl-1,3-benzoselenazol-3-ium-3-yl)butane-1-sulfonic acid Formula: C13H18NO4SSe+ MolecularWeight: 363.31132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C([Se]1)C=CC(=C2)OC)CCCCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=C([Se]1)C=CC(=C2)OC)CCCCS(=O)(=O)O

InChI

InChI=1S/C13H17NO4SSe/c1-10-14(7-3-4-8-19(15,16)17)12-9-11(18-2)5-6-13(12)20-10/h5-6,9H,3-4,7-8H2,1-2H3/p+1