4-[2,3-bis(oxidanyl)propyl-ethyl-amino]-2-methyl-benzaldehyde; sulfuric acid

Systemtic Name: 4-[2,3-bis(oxidanyl)propyl-ethyl-amino]-2-methyl-benzaldehyde; sulfuric acid Openeye Name: 4-[2,3-dihydroxypropyl(ethyl)amino]-2-methyl-benzaldehyde; sulfuric acid CAS Name: 4-[2,3-dihydroxypropyl(ethyl)amino]-2-methylbenzaldehyde; sulfuric acid IUPAC Name: 4-[2,3-dihydroxypropyl(ethyl)amino]-2-methylbenzaldehyde; sulfuric acid Traditional Name: 4-[ethyl(glyceryl)amino]-2-methyl-benzaldehyde; sulfuric acid Formula: C13H21NO7S MolecularWeight: 335.37334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(CO)O)C1=CC(=C(C=C1)C=O)C.OS(=O)(=O)O

Isomeric SMILES

CCN(CC(CO)O)C1=CC(=C(C=C1)C=O)C.OS(=O)(=O)O

InChI

InChI=1S/C13H19NO3.H2O4S/c1-3-14(7-13(17)9-16)12-5-4-11(8-15)10(2)6-12;1-5(2,3)4/h4-6,8,13,16-17H,3,7,9H2,1-2H3;(H2,1,2,3,4)