4-[2,2-bis(chloromethyl)-3-(4-sulfonatophenyl)propyl]benzenesulfonate

Systemtic Name: 4-[2,2-bis(chloromethyl)-3-(4-sulfonatophenyl)propyl]benzenesulfonate Openeye Name: 4-[2,2-bis(chloromethyl)-3-(4-sulfonatophenyl)propyl]benzenesulfonate CAS Name: 4-[2,2-bis(chloromethyl)-3-(4-sulfonatophenyl)propyl]benzenesulfonate IUPAC Name: 4-[2,2-bis(chloromethyl)-3-(4-sulfonatophenyl)propyl]benzenesulfonate Traditional Name: 4-[2,2-bis(chloromethyl)-3-(4-sulfonatophenyl)propyl]besylate Formula: C17H16Cl2O6S2-2 MolecularWeight: 451.34134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CC2=CC=C(C=C2)S(=O)(=O)[O-])(CCl)CCl)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(CC2=CC=C(C=C2)S(=O)(=O)[O-])(CCl)CCl)S(=O)(=O)[O-]

InChI

InChI=1S/C17H18Cl2O6S2/c18-11-17(12-19,9-13-1-5-15(6-2-13)26(20,21)22)10-14-3-7-16(8-4-14)27(23,24)25/h1-8H,9-12H2,(H,20,21,22)(H,23,24,25)/p-2