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

Systemtic Name: sodium 2-[2-(2-acetamidoethyldisulfanyl)-4-chloranyl-phenyl]-5-chloranyl-benzenesulfinate trihydrate Openeye Name: sodium 2-[2-(2-acetamidoethyldisulfanyl)-4-chloro-phenyl]-5-chloro-benzenesulfinate trihydrate CAS Name: sodium 2-[2-(2-acetamidoethyldisulfanyl)-4-chlorophenyl]-5-chlorobenzenesulfinate trihydrate IUPAC Name: sodium 2-[2-(2-acetamidoethyldisulfanyl)-4-chlorophenyl]-5-chlorobenzenesulfinate trihydrate Traditional Name: sodium 2-[2-(2-acetamidoethyldisulfanyl)-4-chloro-phenyl]-5-chloro-benzenesulfinate trihydrate Formula: C16H20Cl2NNaO6S3 MolecularWeight: 512.42387

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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-].O.O.O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C16H15Cl2NO3S3.Na.3H2O/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);;3*1H2/q;+1;;;/p-1