5-chloranyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-benzoic acid

Systemtic Name: 5-chloranyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-benzoic acid Openeye Name: 5-chloro-2-[(E)-cinnamyl]sulfanyl-benzoic acid CAS Name: 5-chloro-2-[[(E)-3-phenylprop-2-enyl]thio]benzoic acid IUPAC Name: 5-chloro-2-[(E)-3-phenylprop-2-enyl]sulfanylbenzoic acid Traditional Name: 5-chloro-2-[[(E)-cinnamyl]thio]benzoic acid Formula: C16H13ClO2S MolecularWeight: 304.79122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=C(C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CSC2=C(C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H13ClO2S/c17-13-8-9-15(14(11-13)16(18)19)20-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,19)/b7-4+