(E)-2-[2-(bromomethyl)phenyl]-3-methanethioyloxy-prop-2-enoic acid

Systemtic Name: (E)-2-[2-(bromomethyl)phenyl]-3-methanethioyloxy-prop-2-enoic acid Openeye Name: (E)-2-[2-(bromomethyl)phenyl]-3-methanethioyloxy-prop-2-enoic acid CAS Name: (E)-2-[2-(bromomethyl)phenyl]-3-methanethioyloxy-2-propenoic acid IUPAC Name: (E)-2-[2-(bromomethyl)phenyl]-3-methanethioyloxyprop-2-enoic acid Traditional Name: (E)-2-[2-(bromomethyl)phenyl]-3-thioformyloxy-acrylic acid Formula: C11H9BrO3S MolecularWeight: 301.15636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CBr)C(=COC=S)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CBr)/C(=C\OC=S)/C(=O)O

InChI

InChI=1S/C11H9BrO3S/c12-5-8-3-1-2-4-9(8)10(11(13)14)6-15-7-16/h1-4,6-7H,5H2,(H,13,14)/b10-6+