4-[[3,5-bis(chloranyl)thiophen-2-yl]methylamino]benzoic acid

Systemtic Name: 4-[[3,5-bis(chloranyl)thiophen-2-yl]methylamino]benzoic acid Openeye Name: 4-[(3,5-dichloro-2-thienyl)methylamino]benzoic acid CAS Name: 4-[(3,5-dichloro-2-thiophenyl)methylamino]benzoic acid IUPAC Name: 4-[(3,5-dichlorothiophen-2-yl)methylamino]benzoic acid Traditional Name: 4-[(3,5-dichloro-2-thienyl)methylamino]benzoic acid Formula: C12H9Cl2NO2S MolecularWeight: 302.17636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2=C(C=C(S2)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2=C(C=C(S2)Cl)Cl

InChI

InChI=1S/C12H9Cl2NO2S/c13-9-5-11(14)18-10(9)6-15-8-3-1-7(2-4-8)12(16)17/h1-5,15H,6H2,(H,16,17)