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

Systemtic Name: 4-[3-chloranyl-2,2-bis(chloromethyl)propyl]benzenesulfonic acid Openeye Name: 4-[3-chloro-2,2-bis(chloromethyl)propyl]benzenesulfonic acid CAS Name: 4-[3-chloro-2,2-bis(chloromethyl)propyl]benzenesulfonic acid IUPAC Name: 4-[3-chloro-2,2-bis(chloromethyl)propyl]benzenesulfonic acid Traditional Name: 4-[3-chloro-2,2-bis(chloromethyl)propyl]besylic acid Formula: C11H13Cl3O3S MolecularWeight: 331.64312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CCl)(CCl)CCl)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(CCl)(CCl)CCl)S(=O)(=O)O

InChI

InChI=1S/C11H13Cl3O3S/c12-6-11(7-13,8-14)5-9-1-3-10(4-2-9)18(15,16)17/h1-4H,5-8H2,(H,15,16,17)