(E)-9-(4-chlorophenyl)sulfanylnon-4-enoic acid

Systemtic Name: (E)-9-(4-chlorophenyl)sulfanylnon-4-enoic acid Openeye Name: (E)-9-(4-chlorophenyl)sulfanylnon-4-enoic acid CAS Name: (E)-9-[(4-chlorophenyl)thio]-4-nonenoic acid IUPAC Name: (E)-9-(4-chlorophenyl)sulfanylnon-4-enoic acid Traditional Name: (E)-9-[(4-chlorophenyl)thio]non-4-enoic acid Formula: C15H19ClO2S MolecularWeight: 298.82816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCCC=CCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCCC/C=C/CCC(=O)O)Cl

InChI

InChI=1S/C15H19ClO2S/c16-13-8-10-14(11-9-13)19-12-6-4-2-1-3-5-7-15(17)18/h1,3,8-11H,2,4-7,12H2,(H,17,18)/b3-1+