4-azanyl-3-(2-chloroethylsulfanyl)benzoic acid

Systemtic Name: 4-azanyl-3-(2-chloroethylsulfanyl)benzoic acid Openeye Name: 4-amino-3-(2-chloroethylsulfanyl)benzoic acid CAS Name: 4-amino-3-(2-chloroethylthio)benzoic acid IUPAC Name: 4-amino-3-(2-chloroethylsulfanyl)benzoic acid Traditional Name: 4-amino-3-(2-chloroethylthio)benzoic acid Formula: C9H10ClNO2S MolecularWeight: 231.6992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)SCCCl)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)SCCCl)N

InChI

InChI=1S/C9H10ClNO2S/c10-3-4-14-8-5-6(9(12)13)1-2-7(8)11/h1-2,5H,3-4,11H2,(H,12,13)