sodium 2-methyl-1,3-benzoxazole-6-sulfonate

Systemtic Name: sodium 2-methyl-1,3-benzoxazole-6-sulfonate Openeye Name: sodium 2-methyl-1,3-benzoxazole-6-sulfonate CAS Name: sodium 2-methyl-1,3-benzoxazole-6-sulfonate IUPAC Name: sodium 2-methyl-1,3-benzoxazole-6-sulfonate Traditional Name: sodium 2-methyl-1,3-benzoxazole-6-sulfonate Formula: C8H6NNaO4S MolecularWeight: 235.19231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=C(C=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=NC2=C(O1)C=C(C=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H7NO4S.Na/c1-5-9-7-3-2-6(14(10,11)12)4-8(7)13-5;/h2-4H,1H3,(H,10,11,12);/q;+1/p-1