sodium 5-chloranyl-2-sulfanylidene-3H-1,3-benzoxazole-7-sulfonate

Systemtic Name: sodium 5-chloranyl-2-sulfanylidene-3H-1,3-benzoxazole-7-sulfonate Openeye Name: sodium 5-chloro-2-thioxo-3H-1,3-benzoxazole-7-sulfonate CAS Name: sodium 5-chloro-2-sulfanylidene-3H-1,3-benzoxazole-7-sulfonate IUPAC Name: sodium 5-chloro-2-sulfanylidene-3H-1,3-benzoxazole-7-sulfonate Traditional Name: sodium 5-chloro-2-thioxo-3H-1,3-benzoxazole-7-sulfonate Formula: C7H3ClNNaO4S2 MolecularWeight: 287.67579

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1S(=O)(=O)[O-])OC(=S)N2)Cl.[Na+]

Isomeric SMILES

C1=C(C=C2C(=C1S(=O)(=O)[O-])OC(=S)N2)Cl.[Na+]

InChI

InChI=1S/C7H4ClNO4S2.Na/c8-3-1-4-6(13-7(14)9-4)5(2-3)15(10,11)12;/h1-2H,(H,9,14)(H,10,11,12);/q;+1/p-1