2-(2-bromanyl-9H-xanthen-9-yl)propanedioic acid

Systemtic Name: 2-(2-bromanyl-9H-xanthen-9-yl)propanedioic acid Openeye Name: 2-(2-bromo-9H-xanthen-9-yl)propanedioic acid CAS Name: 2-(2-bromo-9H-xanthen-9-yl)propanedioic acid IUPAC Name: 2-(2-bromo-9H-xanthen-9-yl)propanedioic acid Traditional Name: 2-(2-bromo-9H-xanthen-9-yl)malonic acid Formula: C16H11BrO5 MolecularWeight: 363.15954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=C(O2)C=CC(=C3)Br)C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=C(O2)C=CC(=C3)Br)C(C(=O)O)C(=O)O

InChI

InChI=1S/C16H11BrO5/c17-8-5-6-12-10(7-8)13(14(15(18)19)16(20)21)9-3-1-2-4-11(9)22-12/h1-7,13-14H,(H,18,19)(H,20,21)