dimethyl 2-oxidanyl-2-(9-oxidanylidenethioxanthen-10-ium-10-yl)propanedioate

Systemtic Name: dimethyl 2-oxidanyl-2-(9-oxidanylidenethioxanthen-10-ium-10-yl)propanedioate Openeye Name: dimethyl 2-hydroxy-2-(9-oxothioxanthen-10-ium-10-yl)propanedioate CAS Name: 2-hydroxy-2-(9-oxo-10-thioxanthen-10-iumyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-hydroxy-2-(9-oxothioxanthen-10-ium-10-yl)propanedioate Traditional Name: 2-hydroxy-2-(9-ketothioxanthen-10-ium-10-yl)malonic acid dimethyl ester Formula: C18H15O6S+ MolecularWeight: 359.3731

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=O)OC)(O)[S+]1C2=CC=CC=C2C(=O)C3=CC=CC=C31

Isomeric SMILES

COC(=O)C(C(=O)OC)(O)[S+]1C2=CC=CC=C2C(=O)C3=CC=CC=C31

InChI

InChI=1S/C18H15O6S/c1-23-16(20)18(22,17(21)24-2)25-13-9-5-3-7-11(13)15(19)12-8-4-6-10-14(12)25/h3-10,22H,1-2H3/q+1