(4-methyl-9-oxidanylidene-thioxanthen-2-yl) benzoate

Systemtic Name: (4-methyl-9-oxidanylidene-thioxanthen-2-yl) benzoate Openeye Name: (4-methyl-9-oxo-thioxanthen-2-yl) benzoate CAS Name: benzoic acid (4-methyl-9-oxo-2-thioxanthenyl) ester IUPAC Name: (4-methyl-9-oxothioxanthen-2-yl) benzoate Traditional Name: benzoic acid (9-keto-4-methyl-thioxanthen-2-yl) ester Formula: C21H14O3S MolecularWeight: 346.39906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)OC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4S2

Isomeric SMILES

CC1=C2C(=CC(=C1)OC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4S2

InChI

InChI=1S/C21H14O3S/c1-13-11-15(24-21(23)14-7-3-2-4-8-14)12-17-19(22)16-9-5-6-10-18(16)25-20(13)17/h2-12H,1H3