(E)-3-[3-bromanyl-5-(3-oxidanyl-3-oxidanylidene-prop-1-ynyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-bromanyl-5-(3-oxidanyl-3-oxidanylidene-prop-1-ynyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-bromo-5-(3-hydroxy-3-oxo-prop-1-ynyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-bromo-5-(3-hydroxy-3-oxoprop-1-ynyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-bromo-5-(3-hydroxy-3-oxoprop-1-ynyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-bromo-5-(3-hydroxy-3-keto-prop-1-ynyl)phenyl]acrylic acid Formula: C12H7BrO4 MolecularWeight: 295.08558

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1Br)C#CC(=O)O)C=CC(=O)O

Isomeric SMILES

C1=C(C=C(C=C1Br)C#CC(=O)O)/C=C/C(=O)O

InChI

InChI=1S/C12H7BrO4/c13-10-6-8(1-3-11(14)15)5-9(7-10)2-4-12(16)17/h1,3,5-7H,(H,14,15)(H,16,17)/b3-1+