ethyl 2,2-bis[bis(azanyl)methylideneamino]-1-sulfanyl-ethanesulfonate sulfate

Systemtic Name: ethyl 2,2-bis[bis(azanyl)methylideneamino]-1-sulfanyl-ethanesulfonate sulfate Openeye Name: ethyl 2,2-diguanidino-1-sulfanyl-ethanesulfonate sulfate CAS Name: 2,2-bis(diaminomethylideneamino)-1-mercaptoethanesulfonic acid ethyl ester sulfate IUPAC Name: ethyl 2,2-bis(diaminomethylideneamino)-1-sulfanylethanesulfonate sulfate Traditional Name: 2,2-diguanidino-1-mercapto-ethanesulfonic acid ethyl ester sulfate Formula: C6H16N6O7S3-2 MolecularWeight: 380.42224

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C(C(N=C(N)N)N=C(N)N)S.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCOS(=O)(=O)C(C(N=C(N)N)N=C(N)N)S.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C6H16N6O3S2.H2O4S/c1-2-15-17(13,14)4(16)3(11-5(7)8)12-6(9)10;1-5(2,3)4/h3-4,16H,2H2,1H3,(H4,7,8,11)(H4,9,10,12);(H2,1,2,3,4)/p-2