[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C22H15BrO4 MolecularWeight: 423.2561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H15BrO4/c23-15-7-5-6-14(12-15)18(24)13-26-22(25)21-16-8-1-3-10-19(16)27-20-11-4-2-9-17(20)21/h1-12,21H,13H2