2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]guanidine; sulfuric acid

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]guanidine; sulfuric acid Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]guanidine; sulfuric acid CAS Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]guanidine; sulfuric acid IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]guanidine; sulfuric acid Traditional Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]guanidine; sulfuric acid Formula: C24H36N6O8S MolecularWeight: 568.64304

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)CCN=C(N)N)OC1.C1COC2=C(C=C(C=C2)CCN=C(N)N)OC1.OS(=O)(=O)O

Isomeric SMILES

C1COC2=C(C=C(C=C2)CCN=C(N)N)OC1.C1COC2=C(C=C(C=C2)CCN=C(N)N)OC1.OS(=O)(=O)O

InChI

InChI=1S/2C12H17N3O2.H2O4S/c2*13-12(14)15-5-4-9-2-3-10-11(8-9)17-7-1-6-16-10;1-5(2,3)4/h2*2-3,8H,1,4-7H2,(H4,13,14,15);(H2,1,2,3,4)