4-sulfanyl-1,3-benzoxazole-2-sulfonate

Systemtic Name: 4-sulfanyl-1,3-benzoxazole-2-sulfonate Openeye Name: 4-sulfanyl-1,3-benzoxazole-2-sulfonate CAS Name: 4-mercapto-1,3-benzoxazole-2-sulfonate IUPAC Name: 4-sulfanyl-1,3-benzoxazole-2-sulfonate Traditional Name: 4-mercapto-1,3-benzoxazole-2-sulfonate Formula: C7H4NO4S2- MolecularWeight: 230.24096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S)N=C(O2)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)S)N=C(O2)S(=O)(=O)[O-]

InChI

InChI=1S/C7H5NO4S2/c9-14(10,11)7-8-6-4(12-7)2-1-3-5(6)13/h1-3,13H,(H,9,10,11)/p-1