2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine; sulfuric acid; dihydrate

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine; sulfuric acid; dihydrate Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine; sulfuric acid; dihydrate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine; sulfuric acid; dihydrate IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine; sulfuric acid; dihydrate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine; sulfuric acid; dihydrate Formula: C20H32N6O10S MolecularWeight: 548.56728

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CN=C(N)N.C1C(OC2=CC=CC=C2O1)CN=C(N)N.O.O.OS(=O)(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CN=C(N)N.C1C(OC2=CC=CC=C2O1)CN=C(N)N.O.O.OS(=O)(=O)O

InChI

InChI=1S/2C10H13N3O2.H2O4S.2H2O/c2*11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7;1-5(2,3)4;;/h2*1-4,7H,5-6H2,(H4,11,12,13);(H2,1,2,3,4);2*1H2