2H-benzotriazole; 1-oxidanylethanesulfinic acid

Systemtic Name: 2H-benzotriazole; 1-oxidanylethanesulfinic acid Openeye Name: 2H-benzotriazole; 1-hydroxyethanesulfinic acid CAS Name: 2H-benzotriazole; 1-hydroxyethanesulfinic acid IUPAC Name: 2H-benzotriazole; 1-hydroxyethanesulfinic acid Traditional Name: 2H-benzotriazole; 1-hydroxyethanesulfinic acid Formula: C8H11N3O3S MolecularWeight: 229.25624

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)S(=O)O.C1=CC2=NNN=C2C=C1

Isomeric SMILES

CC(O)S(=O)O.C1=CC2=NNN=C2C=C1

InChI

InChI=1S/C6H5N3.C2H6O3S/c1-2-4-6-5(3-1)7-9-8-6;1-2(3)6(4)5/h1-4H,(H,7,8,9);2-3H,1H3,(H,4,5)