2-methylpropyl 4-[4-[2,5-bis(chloranyl)phenyl]carbonylphenoxy]benzenesulfonate

Systemtic Name: 2-methylpropyl 4-[4-[2,5-bis(chloranyl)phenyl]carbonylphenoxy]benzenesulfonate Openeye Name: isobutyl 4-[4-(2,5-dichlorobenzoyl)phenoxy]benzenesulfonate CAS Name: 4-[4-[(2,5-dichlorophenyl)-oxomethyl]phenoxy]benzenesulfonic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(2,5-dichlorobenzoyl)phenoxy]benzenesulfonate Traditional Name: 4-[4-(2,5-dichlorobenzoyl)phenoxy]benzenesulfonic acid isobutyl ester Formula: C23H20Cl2O5S MolecularWeight: 479.3729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CC(C)COS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C23H20Cl2O5S/c1-15(2)14-29-31(27,28)20-10-8-19(9-11-20)30-18-6-3-16(4-7-18)23(26)21-13-17(24)5-12-22(21)25/h3-13,15H,14H2,1-2H3