(E)-3-(3-bromophenyl)-2-sulfanyl-prop-2-enoic acid

Systemtic Name: (E)-3-(3-bromophenyl)-2-sulfanyl-prop-2-enoic acid Openeye Name: (E)-3-(3-bromophenyl)-2-sulfanyl-prop-2-enoic acid CAS Name: (E)-3-(3-bromophenyl)-2-mercapto-2-propenoic acid IUPAC Name: (E)-3-(3-bromophenyl)-2-sulfanylprop-2-enoic acid Traditional Name: (E)-3-(3-bromophenyl)-2-mercapto-acrylic acid Formula: C9H7BrO2S MolecularWeight: 259.11968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C=C(C(=O)O)S

Isomeric SMILES

C1=CC(=CC(=C1)Br)/C=C(\C(=O)O)/S

InChI

InChI=1S/C9H7BrO2S/c10-7-3-1-2-6(4-7)5-8(13)9(11)12/h1-5,13H,(H,11,12)/b8-5+