2-[5-chloranyl-2-(4-ethylsulfonyl-2-methyl-phenyl)-4-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[5-chloranyl-2-(4-ethylsulfonyl-2-methyl-phenyl)-4-methyl-phenoxy]ethanoic acid Openeye Name: 2-[5-chloro-2-(4-ethylsulfonyl-2-methyl-phenyl)-4-methyl-phenoxy]acetic acid CAS Name: 2-[5-chloro-2-(4-ethylsulfonyl-2-methylphenyl)-4-methylphenoxy]acetic acid IUPAC Name: 2-[5-chloro-2-(4-ethylsulfonyl-2-methylphenyl)-4-methylphenoxy]acetic acid Traditional Name: 2-[5-chloro-2-(4-esyl-2-methyl-phenyl)-4-methyl-phenoxy]acetic acid Formula: C18H19ClO5S MolecularWeight: 382.85846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)C2=CC(=C(C=C2OCC(=O)O)Cl)C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)C2=CC(=C(C=C2OCC(=O)O)Cl)C)C

InChI

InChI=1S/C18H19ClO5S/c1-4-25(22,23)13-5-6-14(11(2)7-13)15-8-12(3)16(19)9-17(15)24-10-18(20)21/h5-9H,4,10H2,1-3H3,(H,20,21)