1-[(1-azanyl-2-sulfonatosulfanyl-ethylidene)azaniumylmethyl]adamantane

Systemtic Name: 1-[(1-azanyl-2-sulfonatosulfanyl-ethylidene)azaniumylmethyl]adamantane Openeye Name: 1-[(1-amino-2-sulfonatosulfanyl-ethylidene)ammoniomethyl]adamantane CAS Name: 1-[[1-amino-2-(sulfonatothio)ethylidene]ammoniomethyl]adamantane IUPAC Name: 1-[(1-amino-2-sulfonatosulfanylethylidene)azaniumylmethyl]adamantane Traditional Name: 1-[[1-amino-2-(sulfonatothio)ethylidene]ammoniomethyl]adamantane Formula: C13H22N2O3S2 MolecularWeight: 318.45538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C[NH+]=C(CSS(=O)(=O)[O-])N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C[NH+]=C(CSS(=O)(=O)[O-])N

InChI

InChI=1S/C13H22N2O3S2/c14-12(7-19-20(16,17)18)15-8-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11H,1-8H2,(H2,14,15)(H,16,17,18)