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

Systemtic Name: sodium 4-[3-chloranyl-2,2-bis(chloromethyl)propyl]benzenesulfonate Openeye Name: sodium 4-[3-chloro-2,2-bis(chloromethyl)propyl]benzenesulfonate CAS Name: sodium 4-[3-chloro-2,2-bis(chloromethyl)propyl]benzenesulfonate IUPAC Name: sodium 4-[3-chloro-2,2-bis(chloromethyl)propyl]benzenesulfonate Traditional Name: sodium 4-[3-chloro-2,2-bis(chloromethyl)propyl]besylate Formula: C11H12Cl3NaO3S MolecularWeight: 353.62495

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CCl)(CCl)CCl)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1CC(CCl)(CCl)CCl)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H13Cl3O3S.Na/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);/q;+1/p-1