sodium 2-[2-(2-acetamidoethyldisulfanyl)-4-chloranyl-phenyl]-5-chloranyl-benzenesulfinate

Systemtic Name: sodium 2-[2-(2-acetamidoethyldisulfanyl)-4-chloranyl-phenyl]-5-chloranyl-benzenesulfinate Openeye Name: sodium 2-[2-(2-acetamidoethyldisulfanyl)-4-chloro-phenyl]-5-chloro-benzenesulfinate CAS Name: sodium 2-[2-(2-acetamidoethyldisulfanyl)-4-chlorophenyl]-5-chlorobenzenesulfinate IUPAC Name: sodium 2-[2-(2-acetamidoethyldisulfanyl)-4-chlorophenyl]-5-chlorobenzenesulfinate Traditional Name: sodium 2-[2-(2-acetamidoethyldisulfanyl)-4-chloro-phenyl]-5-chloro-benzenesulfinate Formula: C16H14Cl2NNaO3S3 MolecularWeight: 458.37803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSSC1=C(C=CC(=C1)Cl)C2=C(C=C(C=C2)Cl)S(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)NCCSSC1=C(C=CC(=C1)Cl)C2=C(C=C(C=C2)Cl)S(=O)[O-].[Na+]

InChI

InChI=1S/C16H15Cl2NO3S3.Na/c1-10(20)19-6-7-23-24-15-8-11(17)2-4-13(15)14-5-3-12(18)9-16(14)25(21)22;/h2-5,8-9H,6-7H2,1H3,(H,19,20)(H,21,22);/q;+1/p-1