sodium 4-cyclohexyl-N-(2-oxidanidylsulfonothioyloxyethyl)butan-1-amine hydrate

Systemtic Name: sodium 4-cyclohexyl-N-(2-oxidanidylsulfonothioyloxyethyl)butan-1-amine hydrate Openeye Name: sodium 4-cyclohexyl-N-(2-oxidosulfonothioyloxyethyl)butan-1-amine hydrate CAS Name: sodium 4-cyclohexyl-N-(2-oxidosulfonothioyloxyethyl)-1-butanamine hydrate IUPAC Name: sodium 4-cyclohexyl-N-(2-oxidosulfonothioyloxyethyl)butan-1-amine hydrate Traditional Name: sodium 4-cyclohexylbutyl(2-oxidosulfonothioyloxyethyl)amine hydrate Formula: C12H26NNaO4S2 MolecularWeight: 335.45891

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCNCCOS(=O)(=S)[O-].O.[Na+]

Isomeric SMILES

C1CCC(CC1)CCCCNCCOS(=O)(=S)[O-].O.[Na+]

InChI

InChI=1S/C12H25NO3S2.Na.H2O/c14-18(15,17)16-11-10-13-9-5-4-8-12-6-2-1-3-7-12;;/h12-13H,1-11H2,(H,14,15,17);;1H2/q;+1;/p-1