methyl 2-thioxanthen-10-ium-1-ylbenzoate

Systemtic Name: methyl 2-thioxanthen-10-ium-1-ylbenzoate Openeye Name: methyl 2-thioxanthen-10-ium-1-ylbenzoate CAS Name: 2-(1-thioxanthen-10-iumyl)benzoic acid methyl ester IUPAC Name: methyl 2-thioxanthen-10-ium-1-ylbenzoate Traditional Name: 2-thioxanthen-10-ium-1-ylbenzoic acid methyl ester Formula: C21H15O2S+ MolecularWeight: 331.4076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=CC3=[S+]C4=CC=CC=C4C=C32

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=CC3=[S+]C4=CC=CC=C4C=C32

InChI

InChI=1S/C21H15O2S/c1-23-21(22)17-9-4-3-8-15(17)16-10-6-12-20-18(16)13-14-7-2-5-11-19(14)24-20/h2-13H,1H3/q+1