2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)guanidine; sulfuric acid

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)guanidine; sulfuric acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)guanidine; sulfuric acid CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)guanidine; sulfuric acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)guanidine; sulfuric acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)guanidine; sulfuric acid Formula: C22H32N6O8S MolecularWeight: 540.58988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H15N3O2.H2O4S/c2*12-11(13)14-7-8-2-3-9-10(6-8)16-5-1-4-15-9;1-5(2,3)4/h2*2-3,6H,1,4-5,7H2,(H4,12,13,14);(H2,1,2,3,4)