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

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

Systemtic Name:4-(2-methyl-1,3-benzoselenazol-3-ium-3-yl)butane-2-sulfonic acid
Openeye Name:4-(2-methyl-1,3-benzoselenazol-3-ium-3-yl)butane-2-sulfonic acid
CAS Name:4-(2-methyl-1,3-benzoselenazol-3-ium-3-yl)-2-butanesulfonic acid
IUPAC Name:4-(2-methyl-1,3-benzoselenazol-3-ium-3-yl)butane-2-sulfonic acid
Traditional Name:4-(2-methyl-1,3-benzoselenazol-3-ium-3-yl)butane-2-sulfonic acid
Formula: C12H16NO3SSe+
MolecularWeight: 333.28534
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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2[Se]1)CCC(C)S(=O)(=O)O


Isomeric SMILES

CC1=[N+](C2=CC=CC=C2[Se]1)CCC(C)S(=O)(=O)O


InChI

InChI=1S/C12H15NO3SSe/c1-9(17(14,15)16)7-8-13-10(2)18-12-6-4-3-5-11(12)13/h3-6,9H,7-8H2,1-2H3/p+1


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