4-sulfanyl-1,3-benzoxazole-2-sulfonic acid

Systemtic Name: 4-sulfanyl-1,3-benzoxazole-2-sulfonic acid Openeye Name: 4-sulfanyl-1,3-benzoxazole-2-sulfonic acid CAS Name: 4-mercapto-1,3-benzoxazole-2-sulfonic acid IUPAC Name: 4-sulfanyl-1,3-benzoxazole-2-sulfonic acid Traditional Name: 4-mercapto-1,3-benzoxazole-2-sulfonic acid Formula: C7H5NO4S2 MolecularWeight: 231.2489

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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)