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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CC1N=C(N)N)C=CC(=C2)Cl.C1COC2=C(CC1N=C(N)N)C=CC(=C2)Cl.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1COC2=C(CC1N=C(N)N)C=CC(=C2)Cl.C1COC2=C(CC1N=C(N)N)C=CC(=C2)Cl.[O-]S(=O)(=O)[O-]

InChI

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