4-(4-chloranylphenoxy)-2-ethyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-(4-chloranylphenoxy)-2-ethyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-(4-chlorophenoxy)-2-ethyl-5-methylsulfonyl-benzoic acid CAS Name: 4-(4-chlorophenoxy)-2-ethyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-(4-chlorophenoxy)-2-ethyl-5-methylsulfonylbenzoic acid Traditional Name: 4-(4-chlorophenoxy)-2-ethyl-5-mesyl-benzoic acid Formula: C16H15ClO5S MolecularWeight: 354.8053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H15ClO5S/c1-3-10-8-14(22-12-6-4-11(17)5-7-12)15(23(2,20)21)9-13(10)16(18)19/h4-9H,3H2,1-2H3,(H,18,19)