[1-acetyloxy-7-(bromomethyl)-9-oxidanylidene-xanthen-3-yl] ethanoate

Systemtic Name: [1-acetyloxy-7-(bromomethyl)-9-oxidanylidene-xanthen-3-yl] ethanoate Openeye Name: [1-acetoxy-7-(bromomethyl)-9-oxo-xanthen-3-yl] acetate CAS Name: acetic acid [1-acetyloxy-7-(bromomethyl)-9-oxo-3-xanthenyl] ester IUPAC Name: [1-acetyloxy-7-(bromomethyl)-9-oxoxanthen-3-yl] acetate Traditional Name: acetic acid [1-acetoxy-7-(bromomethyl)-9-keto-xanthen-3-yl] ester Formula: C18H13BrO6 MolecularWeight: 405.19622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)CBr)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)CBr)OC(=O)C

InChI

InChI=1S/C18H13BrO6/c1-9(20)23-12-6-15(24-10(2)21)17-16(7-12)25-14-4-3-11(8-19)5-13(14)18(17)22/h3-7H,8H2,1-2H3