(E)-3-(3-chloranyl-4-sulfanyl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(3-chloranyl-4-sulfanyl-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(3-chloro-4-sulfanyl-phenyl)prop-2-enoic acid CAS Name: (E)-3-(3-chloro-4-mercaptophenyl)-2-propenoic acid IUPAC Name: (E)-3-(3-chloro-4-sulfanylphenyl)prop-2-enoic acid Traditional Name: (E)-3-(3-chloro-4-mercapto-phenyl)acrylic acid Formula: C9H7ClO2S MolecularWeight: 214.66868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)O)Cl)S

Isomeric SMILES

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

InChI

InChI=1S/C9H7ClO2S/c10-7-5-6(1-3-8(7)13)2-4-9(11)12/h1-5,13H,(H,11,12)/b4-2+