3-[[2,5-bis(chloranyl)-4-thiocyanato-phenyl]amino]propanoic acid

Systemtic Name: 3-[[2,5-bis(chloranyl)-4-thiocyanato-phenyl]amino]propanoic acid Openeye Name: 3-(2,5-dichloro-4-thiocyanato-anilino)propanoic acid CAS Name: 3-(2,5-dichloro-4-thiocyanatoanilino)propanoic acid IUPAC Name: 3-(2,5-dichloro-4-thiocyanatoanilino)propanoic acid Traditional Name: 3-(2,5-dichloro-4-thiocyanato-anilino)propionic acid Formula: C10H8Cl2N2O2S MolecularWeight: 291.15372

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)SC#N)Cl)NCCC(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1Cl)SC#N)Cl)NCCC(=O)O

InChI

InChI=1S/C10H8Cl2N2O2S/c11-6-4-9(17-5-13)7(12)3-8(6)14-2-1-10(15)16/h3-4,14H,1-2H2,(H,15,16)