2-(6-bromanyl-5-methyl-9-oxidanylidene-xanthen-4-yl)ethanoic acid

Systemtic Name: 2-(6-bromanyl-5-methyl-9-oxidanylidene-xanthen-4-yl)ethanoic acid Openeye Name: 2-(6-bromo-5-methyl-9-oxo-xanthen-4-yl)acetic acid CAS Name: 2-(6-bromo-5-methyl-9-oxo-4-xanthenyl)acetic acid IUPAC Name: 2-(6-bromo-5-methyl-9-oxoxanthen-4-yl)acetic acid Traditional Name: 2-(6-bromo-9-keto-5-methyl-xanthen-4-yl)acetic acid Formula: C16H11BrO4 MolecularWeight: 347.16014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC3=C(C2=O)C=CC=C3CC(=O)O)Br

Isomeric SMILES

CC1=C(C=CC2=C1OC3=C(C2=O)C=CC=C3CC(=O)O)Br

InChI

InChI=1S/C16H11BrO4/c1-8-12(17)6-5-11-14(20)10-4-2-3-9(7-13(18)19)16(10)21-15(8)11/h2-6H,7H2,1H3,(H,18,19)