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

Systemtic Name: methyl 2-thioxanthen-10-ium-1-ylbenzoate chloride Openeye Name: methyl 2-thioxanthen-10-ium-1-ylbenzoate chloride CAS Name: 2-(1-thioxanthen-10-iumyl)benzoic acid methyl ester chloride IUPAC Name: methyl 2-thioxanthen-10-ium-1-ylbenzoate chloride Traditional Name: 2-thioxanthen-10-ium-1-ylbenzoic acid methyl ester chloride Formula: C21H15ClO2S MolecularWeight: 366.8606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15O2S.ClH/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;1H/q+1;/p-1