1-[4-aminocarbonyl-3,5-bis(chloranyl)-2-oxidanyl-phenyl]propane-2-sulfonic acid

Systemtic Name: 1-[4-aminocarbonyl-3,5-bis(chloranyl)-2-oxidanyl-phenyl]propane-2-sulfonic acid Openeye Name: 1-(4-carbamoyl-3,5-dichloro-2-hydroxy-phenyl)propane-2-sulfonic acid CAS Name: 1-(4-carbamoyl-3,5-dichloro-2-hydroxyphenyl)-2-propanesulfonic acid IUPAC Name: 1-(4-carbamoyl-3,5-dichloro-2-hydroxyphenyl)propane-2-sulfonic acid Traditional Name: 1-(4-carbamoyl-3,5-dichloro-2-hydroxy-phenyl)propane-2-sulfonic acid Formula: C10H11Cl2NO5S MolecularWeight: 328.16904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C(=C1O)Cl)C(=O)N)Cl)S(=O)(=O)O

Isomeric SMILES

CC(CC1=CC(=C(C(=C1O)Cl)C(=O)N)Cl)S(=O)(=O)O

InChI

InChI=1S/C10H11Cl2NO5S/c1-4(19(16,17)18)2-5-3-6(11)7(10(13)15)8(12)9(5)14/h3-4,14H,2H2,1H3,(H2,13,15)(H,16,17,18)