1-[(1-azanyl-2-sulfosulfanyl-ethylidene)amino]adamantane hydrate

Systemtic Name: 1-[(1-azanyl-2-sulfosulfanyl-ethylidene)amino]adamantane hydrate Openeye Name: 1-[(1-amino-2-sulfosulfanyl-ethylidene)amino]adamantane hydrate CAS Name: 1-[[1-amino-2-(sulfothio)ethylidene]amino]adamantane hydrate IUPAC Name: 1-[(1-amino-2-sulfosulfanylethylidene)amino]adamantane hydrate Traditional Name: 1-[[1-amino-2-(sulfothio)ethylidene]amino]adamantane hydrate Formula: C48H82N8O13S8 MolecularWeight: 1235.73048

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N=C(CSS(=O)(=O)O)N.C1C2CC3CC1CC(C2)(C3)N=C(CSS(=O)(=O)O)N.C1C2CC3CC1CC(C2)(C3)N=C(CSS(=O)(=O)O)N.C1C2CC3CC1CC(C2)(C3)N=C(CSS(=O)(=O)O)N.O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N=C(CSS(=O)(=O)O)N.C1C2CC3CC1CC(C2)(C3)N=C(CSS(=O)(=O)O)N.C1C2CC3CC1CC(C2)(C3)N=C(CSS(=O)(=O)O)N.C1C2CC3CC1CC(C2)(C3)N=C(CSS(=O)(=O)O)N.O

InChI

InChI=1S/4C12H20N2O3S2.H2O/c4*13-11(7-18-19(15,16)17)14-12-4-8-1-9(5-12)3-10(2-8)6-12;/h4*8-10H,1-7H2,(H2,13,14)(H,15,16,17);1H2