2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanyl-ethyl]guanidine sulfate

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanyl-ethyl]guanidine sulfate Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-ethyl]guanidine sulfate CAS Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]guanidine sulfate IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]guanidine sulfate Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-ethyl]guanidine sulfate Formula: C22H30N6O10S-2 MolecularWeight: 570.5728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(CN=C(N)N)O.C1COC2=C(O1)C=CC(=C2)C(CN=C(N)N)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(CN=C(N)N)O.C1COC2=C(O1)C=CC(=C2)C(CN=C(N)N)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C11H15N3O3.H2O4S/c2*12-11(13)14-6-8(15)7-1-2-9-10(5-7)17-4-3-16-9;1-5(2,3)4/h2*1-2,5,8,15H,3-4,6H2,(H4,12,13,14);(H2,1,2,3,4)/p-2