3-[4-(2-bromanylethanoyl)phenyl]pentanedioate

Systemtic Name: 3-[4-(2-bromanylethanoyl)phenyl]pentanedioate Openeye Name: 3-[4-(2-bromoacetyl)phenyl]pentanedioate CAS Name: 3-[4-(2-bromo-1-oxoethyl)phenyl]pentanedioate IUPAC Name: 3-[4-(2-bromoacetyl)phenyl]pentanedioate Traditional Name: 3-[4-(2-bromoacetyl)phenyl]glutarate Formula: C13H11BrO5-2 MolecularWeight: 327.12744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)[O-])CC(=O)[O-])C(=O)CBr

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)[O-])CC(=O)[O-])C(=O)CBr

InChI

InChI=1S/C13H13BrO5/c14-7-11(15)9-3-1-8(2-4-9)10(5-12(16)17)6-13(18)19/h1-4,10H,5-7H2,(H,16,17)(H,18,19)/p-2