3-iodanyl-1-(sulfinoamino)butane; 2,3,4-tris(fluoranyl)benzoic acid

Systemtic Name: 3-iodanyl-1-(sulfinoamino)butane; 2,3,4-tris(fluoranyl)benzoic acid Openeye Name: 3-iodo-1-(sulfinoamino)butane; 2,3,4-trifluorobenzoic acid CAS Name: 3-iodo-1-(sulfinoamino)butane; 2,3,4-trifluorobenzoic acid IUPAC Name: 3-iodo-1-(sulfinoamino)butane; 2,3,4-trifluorobenzoic acid Traditional Name: 3-iodo-1-(sulfinoamino)butane; 2,3,4-trifluorobenzoic acid Formula: C11H13F3INO4S MolecularWeight: 439.1899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCNS(=O)O)I.C1=CC(=C(C(=C1C(=O)O)F)F)F

Isomeric SMILES

CC(CCNS(=O)O)I.C1=CC(=C(C(=C1C(=O)O)F)F)F

InChI

InChI=1S/C7H3F3O2.C4H10INO2S/c8-4-2-1-3(7(11)12)5(9)6(4)10;1-4(5)2-3-6-9(7)8/h1-2H,(H,11,12);4,6H,2-3H2,1H3,(H,7,8)