3-[[azanyl-(2-sulfosulfanylethylamino)methylidene]amino]prop-1-ene hydrate

Systemtic Name: 3-[[azanyl-(2-sulfosulfanylethylamino)methylidene]amino]prop-1-ene hydrate Openeye Name: 3-[[amino-(2-sulfosulfanylethylamino)methylene]amino]prop-1-ene hydrate CAS Name: 3-[[amino-[2-(sulfothio)ethylamino]methylidene]amino]-1-propene hydrate IUPAC Name: 3-[[amino-(2-sulfosulfanylethylamino)methylidene]amino]prop-1-ene hydrate Traditional Name: 3-[[amino-[2-(sulfothio)ethylamino]methylene]amino]prop-1-ene hydrate Formula: C12H28N6O7S4 MolecularWeight: 496.64672

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(N)NCCSS(=O)(=O)O.C=CCN=C(N)NCCSS(=O)(=O)O.O

Isomeric SMILES

C=CCN=C(N)NCCSS(=O)(=O)O.C=CCN=C(N)NCCSS(=O)(=O)O.O

InChI

InChI=1S/2C6H13N3O3S2.H2O/c2*1-2-3-8-6(7)9-4-5-13-14(10,11)12;/h2*2H,1,3-5H2,(H3,7,8,9)(H,10,11,12);1H2