2-[(E)-3-chloranylprop-2-enyl]sulfanylbenzoic acid

Systemtic Name: 2-[(E)-3-chloranylprop-2-enyl]sulfanylbenzoic acid Openeye Name: 2-[(E)-3-chloroallyl]sulfanylbenzoic acid CAS Name: 2-[[(E)-3-chloroprop-2-enyl]thio]benzoic acid IUPAC Name: 2-[(E)-3-chloroprop-2-enyl]sulfanylbenzoic acid Traditional Name: 2-[[(E)-3-chloroallyl]thio]benzoic acid Formula: C10H9ClO2S MolecularWeight: 228.69526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC=CCl

Isomeric SMILES

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

InChI

InChI=1S/C10H9ClO2S/c11-6-3-7-14-9-5-2-1-4-8(9)10(12)13/h1-6H,7H2,(H,12,13)/b6-3+