(E)-2-(2-chloranyl-5-methyl-phenoxy)but-2-enedioic acid

Systemtic Name: (E)-2-(2-chloranyl-5-methyl-phenoxy)but-2-enedioic acid Openeye Name: (E)-2-(2-chloro-5-methyl-phenoxy)but-2-enedioic acid CAS Name: (E)-2-(2-chloro-5-methylphenoxy)-2-butenedioic acid IUPAC Name: (E)-2-(2-chloro-5-methylphenoxy)but-2-enedioic acid Traditional Name: (E)-2-(2-chloro-5-methyl-phenoxy)but-2-enedioic acid Formula: C11H9ClO5 MolecularWeight: 256.63916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9ClO5/c1-6-2-3-7(12)8(4-6)17-9(11(15)16)5-10(13)14/h2-5H,1H3,(H,13,14)(H,15,16)/b9-5+