methyl 2-(7-bromanyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl)oxyethanoate

Systemtic Name: methyl 2-(7-bromanyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl)oxyethanoate Openeye Name: methyl 2-(7-bromo-1-hydroxy-9-oxo-xanthen-3-yl)oxyacetate CAS Name: 2-[(7-bromo-1-hydroxy-9-oxo-3-xanthenyl)oxy]acetic acid methyl ester IUPAC Name: methyl 2-(7-bromo-1-hydroxy-9-oxoxanthen-3-yl)oxyacetate Traditional Name: 2-(7-bromo-1-hydroxy-9-keto-xanthen-3-yl)oxyacetic acid methyl ester Formula: C16H11BrO6 MolecularWeight: 379.15894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)Br)O

Isomeric SMILES

COC(=O)COC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)Br)O

InChI

InChI=1S/C16H11BrO6/c1-21-14(19)7-22-9-5-11(18)15-13(6-9)23-12-3-2-8(17)4-10(12)16(15)20/h2-6,18H,7H2,1H3