butyl 3-bromanyl-9-oxidanylidene-thioxanthene-1-carboxylate

Systemtic Name: butyl 3-bromanyl-9-oxidanylidene-thioxanthene-1-carboxylate Openeye Name: butyl 3-bromo-9-oxo-thioxanthene-1-carboxylate CAS Name: 3-bromo-9-oxo-1-thioxanthenecarboxylic acid butyl ester IUPAC Name: butyl 3-bromo-9-oxothioxanthene-1-carboxylate Traditional Name: 3-bromo-9-keto-thioxanthene-1-carboxylic acid butyl ester Formula: C18H15BrO3S MolecularWeight: 391.2789

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)Br

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)Br

InChI

InChI=1S/C18H15BrO3S/c1-2-3-8-22-18(21)13-9-11(19)10-15-16(13)17(20)12-6-4-5-7-14(12)23-15/h4-7,9-10H,2-3,8H2,1H3