2-[2-(2-acetamidoethyldisulfanyl)-4-chloranyl-phenyl]-5-chloranyl-benzenesulfinic acid

Systemtic Name: 2-[2-(2-acetamidoethyldisulfanyl)-4-chloranyl-phenyl]-5-chloranyl-benzenesulfinic acid Openeye Name: 2-[2-(2-acetamidoethyldisulfanyl)-4-chloro-phenyl]-5-chloro-benzenesulfinic acid CAS Name: 2-[2-(2-acetamidoethyldisulfanyl)-4-chlorophenyl]-5-chlorobenzenesulfinic acid IUPAC Name: 2-[2-(2-acetamidoethyldisulfanyl)-4-chlorophenyl]-5-chlorobenzenesulfinic acid Traditional Name: 2-[2-(2-acetamidoethyldisulfanyl)-4-chloro-phenyl]-5-chloro-benzenesulfinic acid Formula: C16H15Cl2NO3S3 MolecularWeight: 436.3962

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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

Isomeric SMILES

CC(=O)NCCSSC1=C(C=CC(=C1)Cl)C2=C(C=C(C=C2)Cl)S(=O)O

InChI

InChI=1S/C16H15Cl2NO3S3/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)