[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C20H13BrO4S MolecularWeight: 429.28382

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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=C(S4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C20H13BrO4S/c21-18-10-9-17(26-18)14(22)11-24-20(23)19-12-5-1-3-7-15(12)25-16-8-4-2-6-13(16)19/h1-10,19H,11H2