octyl 3-chloranyl-9-oxidanylidene-thioxanthene-1-carboxylate

Systemtic Name: octyl 3-chloranyl-9-oxidanylidene-thioxanthene-1-carboxylate Openeye Name: octyl 3-chloro-9-oxo-thioxanthene-1-carboxylate CAS Name: 3-chloro-9-oxo-1-thioxanthenecarboxylic acid octyl ester IUPAC Name: octyl 3-chloro-9-oxothioxanthene-1-carboxylate Traditional Name: 3-chloro-9-keto-thioxanthene-1-carboxylic acid octyl ester Formula: C22H23ClO3S MolecularWeight: 402.93422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H23ClO3S/c1-2-3-4-5-6-9-12-26-22(25)17-13-15(23)14-19-20(17)21(24)16-10-7-8-11-18(16)27-19/h7-8,10-11,13-14H,2-6,9,12H2,1H3