potassium (2Z)-5-chloranyl-2-[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1,3-oxazolidin-5-ylidene]spiro[1,3-benzoxazol-3-ium-3,1'-azetidin-1-ium]-2'-sulfonate

Systemtic Name: potassium (2Z)-5-chloranyl-2-[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1,3-oxazolidin-5-ylidene]spiro[1,3-benzoxazol-3-ium-3,1'-azetidin-1-ium]-2'-sulfonate Openeye Name: potassium (2Z)-2-(3-benzyl-4-oxo-2-thioxo-oxazolidin-5-ylidene)-5-chloro-spiro[1,3-benzoxazol-3-ium-3,1'-azetidin-1-ium]-2'-sulfonate CAS Name: potassium (2Z)-5-chloro-2-[4-oxo-3-(phenylmethyl)-2-sulfanylidene-5-oxazolidinylidene]-2'-spiro[1,3-benzoxazol-3-ium-3,1'-azetidin-1-ium]sulfonate IUPAC Name: potassium (2Z)-2-(3-benzyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)-5-chlorospiro[1,3-benzoxazol-3-ium-3,1'-azetidin-1-ium]-2'-sulfonate Traditional Name: potassium (2Z)-2-(3-benzyl-4-keto-2-thioxo-oxazolidin-5-ylidene)-5-chloro-spiro[1,3-benzoxazol-3-ium-3,1'-azetidin-1-ium]-2'-sulfonate Formula: C20H15ClKN2O6S2+ MolecularWeight: 518.0242

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(C1S(=O)(=O)[O-])C3=C(C=CC(=C3)Cl)OC2=C4C(=O)N(C(=S)O4)CC5=CC=CC=C5.[K+]

Isomeric SMILES

C1C[N+]\2(C1S(=O)(=O)[O-])C3=C(C=CC(=C3)Cl)O/C2=C\4/C(=O)N(C(=S)O4)CC5=CC=CC=C5.[K+]

InChI

InChI=1S/C20H15ClN2O6S2.K/c21-13-6-7-15-14(10-13)23(9-8-16(23)31(25,26)27)19(28-15)17-18(24)22(20(30)29-17)11-12-4-2-1-3-5-12;/h1-7,10,16H,8-9,11H2;/q;+1/b19-17-;