(Q27275125)

4-Chlorophenylmercapturic acid (English)

14 October 2016

chemical formula

C₁₁H₁₂ClNO₃S

1 reference

4-Chlorophenylmercapturic acid (English)

14 October 2016

canonical SMILES

CC(=O)NC(CSC1=CC=C(C=C1)Cl)C(=O)O

1 reference

4-Chlorophenylmercapturic acid (English)

14 October 2016

isomeric SMILES

CC(=O)N[C@@H](CSC1=CC=C(C=C1)Cl)C(=O)O

1 reference

4-Chlorophenylmercapturic acid (English)

InChI=1S/C11H12ClNO3S/c1-7(14)13-10(11(15)16)6-17-9-4-2-8(12)3-5-9/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

4-Chlorophenylmercapturic acid (English)

NYIHHVVSWNGRAJ-JTQLQIEISA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

4-Chlorophenylmercapturic acid (English)

14 October 2016

1 reference

UNII

C347874F4S

4-chlorophenylmercapturic acid (English)

14 October 2016

1 reference

N-Acetyl-S-(4-chlorophenyl)-L-cysteine (English)

14 October 2016

1 reference

DSSTOX compound identifier

4-Chlorophenylmercapturic acid (English)

14 October 2016

1 reference

0 references

0 references

1 reference

Global Substance Registration System

UNII

C347874F4S

4-chlorophenylmercapturic acid (English)