2-(8-chloranyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine sulfate

Systemtic Name: 2-(8-chloranyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine sulfate Openeye Name: 2-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine sulfate CAS Name: 2-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine sulfate IUPAC Name: 2-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine sulfate Traditional Name: 2-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)guanidine sulfate Formula: C22H28Cl2N6O6S-2 MolecularWeight: 575.46532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C=C(C=C2)Cl)OC1)N=C(N)N.C1CC(C2=C(C=C(C=C2)Cl)OC1)N=C(N)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1CC(C2=C(C=C(C=C2)Cl)OC1)N=C(N)N.C1CC(C2=C(C=C(C=C2)Cl)OC1)N=C(N)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C11H14ClN3O.H2O4S/c2*12-7-3-4-8-9(15-11(13)14)2-1-5-16-10(8)6-7;1-5(2,3)4/h2*3-4,6,9H,1-2,5H2,(H4,13,14,15);(H2,1,2,3,4)/p-2