(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'-sulfonic acid

Systemtic Name: (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'-sulfonic acid Openeye Name: (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'-sulfonic acid CAS Name: (2Z)-5-chloro-2-[4-oxo-3-(phenylmethyl)-2-sulfanylidene-5-oxazolidinylidene]-2'-spiro[1,3-benzoxazol-3-ium-3,1'-azetidin-1-ium]sulfonic acid IUPAC Name: (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'-sulfonic acid Traditional Name: (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'-sulfonic acid Formula: C20H16ClN2O6S2+ MolecularWeight: 479.93384

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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

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

InChI

InChI=1S/C20H15ClN2O6S2/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/p+1/b19-17-