(E)-2-(2-bromanyl-4-methyl-phenoxy)but-2-enedioic acid

Systemtic Name: (E)-2-(2-bromanyl-4-methyl-phenoxy)but-2-enedioic acid Openeye Name: (E)-2-(2-bromo-4-methyl-phenoxy)but-2-enedioic acid CAS Name: (E)-2-(2-bromo-4-methylphenoxy)-2-butenedioic acid IUPAC Name: (E)-2-(2-bromo-4-methylphenoxy)but-2-enedioic acid Traditional Name: (E)-2-(2-bromo-4-methyl-phenoxy)but-2-enedioic acid Formula: C11H9BrO5 MolecularWeight: 301.09016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=CC(=O)O)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)O/C(=C/C(=O)O)/C(=O)O)Br

InChI

InChI=1S/C11H9BrO5/c1-6-2-3-8(7(12)4-6)17-9(11(15)16)5-10(13)14/h2-5H,1H3,(H,13,14)(H,15,16)/b9-5+