2-[bis[3,5-bis(chloranyl)-2-ethoxy-phenyl]methyl]benzenesulfonic acid

Systemtic Name: 2-[bis[3,5-bis(chloranyl)-2-ethoxy-phenyl]methyl]benzenesulfonic acid Openeye Name: 2-[bis(3,5-dichloro-2-ethoxy-phenyl)methyl]benzenesulfonic acid CAS Name: 2-[bis(3,5-dichloro-2-ethoxyphenyl)methyl]benzenesulfonic acid IUPAC Name: 2-[bis(3,5-dichloro-2-ethoxyphenyl)methyl]benzenesulfonic acid Traditional Name: 2-[bis(3,5-dichloro-2-ethoxy-phenyl)methyl]besylic acid Formula: C23H20Cl4O5S MolecularWeight: 550.2789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C(C2=CC=CC=C2S(=O)(=O)O)C3=CC(=CC(=C3OCC)Cl)Cl)Cl)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1C(C2=CC=CC=C2S(=O)(=O)O)C3=CC(=CC(=C3OCC)Cl)Cl)Cl)Cl

InChI

InChI=1S/C23H20Cl4O5S/c1-3-31-22-16(9-13(24)11-18(22)26)21(15-7-5-6-8-20(15)33(28,29)30)17-10-14(25)12-19(27)23(17)32-4-2/h5-12,21H,3-4H2,1-2H3,(H,28,29,30)