1-chloranylpropan-1-ol; 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one; trimethylazanium

Systemtic Name: 1-chloranylpropan-1-ol; 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one; trimethylazanium Openeye Name: 1-chloropropan-1-ol; 1,3,4,5,6-pentahydroxyhexan-2-one; trimethylammonium CAS Name: 1-chloro-1-propanol; 1,3,4,5,6-pentahydroxy-2-hexanone; trimethylammonium IUPAC Name: 1-chloropropan-1-ol; 1,3,4,5,6-pentahydroxyhexan-2-one; trimethylazanium Traditional Name: 1-chloropropan-1-ol; 1,3,4,5,6-pentahydroxyhexan-2-one; trimethylammonium Formula: C12H29ClNO7+ MolecularWeight: 334.81416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(O)Cl.C[NH+](C)C.C(C(C(C(C(=O)CO)O)O)O)O

Isomeric SMILES

CCC(O)Cl.C[NH+](C)C.C(C(C(C(C(=O)CO)O)O)O)O

InChI

InChI=1S/C6H12O6.C3H7ClO.C3H9N/c7-1-3(9)5(11)6(12)4(10)2-8;1-2-3(4)5;1-4(2)3/h3,5-9,11-12H,1-2H2;3,5H,2H2,1H3;1-3H3/p+1