9-(4-bromanylbutyl)thioxanthene-9-carboxylic acid

Systemtic Name: 9-(4-bromanylbutyl)thioxanthene-9-carboxylic acid Openeye Name: 9-(4-bromobutyl)thioxanthene-9-carboxylic acid CAS Name: 9-(4-bromobutyl)-9-thioxanthenecarboxylic acid IUPAC Name: 9-(4-bromobutyl)thioxanthene-9-carboxylic acid Traditional Name: 9-(4-bromobutyl)thioxanthene-9-carboxylic acid Formula: C18H17BrO2S MolecularWeight: 377.29538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)(CCCCBr)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)(CCCCBr)C(=O)O

InChI

InChI=1S/C18H17BrO2S/c19-12-6-5-11-18(17(20)21)13-7-1-3-9-15(13)22-16-10-4-2-8-14(16)18/h1-4,7-10H,5-6,11-12H2,(H,20,21)