2-(7-bromanyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl)oxypropanoic acid

Systemtic Name: 2-(7-bromanyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl)oxypropanoic acid Openeye Name: 2-(7-bromo-1-hydroxy-9-oxo-xanthen-3-yl)oxypropanoic acid CAS Name: 2-[(7-bromo-1-hydroxy-9-oxo-3-xanthenyl)oxy]propanoic acid IUPAC Name: 2-(7-bromo-1-hydroxy-9-oxoxanthen-3-yl)oxypropanoic acid Traditional Name: 2-(7-bromo-1-hydroxy-9-keto-xanthen-3-yl)oxypropionic acid Formula: C16H11BrO6 MolecularWeight: 379.15894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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