2-(3-bromanylphenoxy)ethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: 2-(3-bromophenoxy)ethyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid 2-(3-bromophenoxy)ethyl ester Formula: C22H15BrO6S MolecularWeight: 487.3199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCCOC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCCOC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H15BrO6S/c23-15-4-3-5-16(13-15)28-10-11-29-22(25)14-8-9-18-20(12-14)30(26,27)19-7-2-1-6-17(19)21(18)24/h1-9,12-13H,10-11H2