3-(3-azanyl-3-oxidanylidene-propyl)sulfonyl-2,5-bis(chloranyl)benzoic acid

Systemtic Name: 3-(3-azanyl-3-oxidanylidene-propyl)sulfonyl-2,5-bis(chloranyl)benzoic acid Openeye Name: 3-(3-amino-3-oxo-propyl)sulfonyl-2,5-dichloro-benzoic acid CAS Name: 3-(3-amino-3-oxopropyl)sulfonyl-2,5-dichlorobenzoic acid IUPAC Name: 3-(3-amino-3-oxopropyl)sulfonyl-2,5-dichlorobenzoic acid Traditional Name: 3-(3-amino-3-keto-propyl)sulfonyl-2,5-dichloro-benzoic acid Formula: C10H9Cl2NO5S MolecularWeight: 326.15316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)CCC(=O)N)Cl)C(=O)O)Cl

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)CCC(=O)N)Cl)C(=O)O)Cl

InChI

InChI=1S/C10H9Cl2NO5S/c11-5-3-6(10(15)16)9(12)7(4-5)19(17,18)2-1-8(13)14/h3-4H,1-2H2,(H2,13,14)(H,15,16)