4-[2,2-bis(chloromethyl)-3-(4-sulfophenyl)propyl]benzenesulfonic acid

Systemtic Name: 4-[2,2-bis(chloromethyl)-3-(4-sulfophenyl)propyl]benzenesulfonic acid Openeye Name: 4-[2,2-bis(chloromethyl)-3-(4-sulfophenyl)propyl]benzenesulfonic acid CAS Name: 4-[2,2-bis(chloromethyl)-3-(4-sulfophenyl)propyl]benzenesulfonic acid IUPAC Name: 4-[2,2-bis(chloromethyl)-3-(4-sulfophenyl)propyl]benzenesulfonic acid Traditional Name: 4-[2,2-bis(chloromethyl)-3-(4-sulfophenyl)propyl]besylic acid Formula: C17H18Cl2O6S2 MolecularWeight: 453.35722

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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)