2-[(3-oxidanyl-2,4-dihydro-1,5-benzodioxepin-3-yl)methyl]guanidine; sulfuric acid

Systemtic Name: 2-[(3-oxidanyl-2,4-dihydro-1,5-benzodioxepin-3-yl)methyl]guanidine; sulfuric acid Openeye Name: 2-[(3-hydroxy-2,4-dihydro-1,5-benzodioxepin-3-yl)methyl]guanidine; sulfuric acid CAS Name: 2-[(3-hydroxy-2,4-dihydro-1,5-benzodioxepin-3-yl)methyl]guanidine; sulfuric acid IUPAC Name: 2-[(3-hydroxy-2,4-dihydro-1,5-benzodioxepin-3-yl)methyl]guanidine; sulfuric acid Traditional Name: 2-[(3-hydroxy-2,4-dihydro-1,5-benzodioxepin-3-yl)methyl]guanidine; sulfuric acid Formula: C11H17N3O7S MolecularWeight: 335.33358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=CC=CC=C2O1)(CN=C(N)N)O.OS(=O)(=O)O

Isomeric SMILES

C1C(COC2=CC=CC=C2O1)(CN=C(N)N)O.OS(=O)(=O)O

InChI

InChI=1S/C11H15N3O3.H2O4S/c12-10(13)14-5-11(15)6-16-8-3-1-2-4-9(8)17-7-11;1-5(2,3)4/h1-4,15H,5-7H2,(H4,12,13,14);(H2,1,2,3,4)