(E)-3-[4-(2-chloroethylsulfinyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-chloroethylsulfinyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(2-chloroethylsulfinyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(2-chloroethylsulfinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-chloroethylsulfinyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(2-chloroethylsulfinyl)phenyl]acrylic acid Formula: C11H11ClO3S MolecularWeight: 258.72124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)S(=O)CCCl

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClO3S/c12-7-8-16(15)10-4-1-9(2-5-10)3-6-11(13)14/h1-6H,7-8H2,(H,13,14)/b6-3+