2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethanesulfinate

Systemtic Name: 2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethanesulfinate Openeye Name: 2-[5-(2-sulfonioethyl)-1,5-diazocan-1-yl]ethanesulfinate CAS Name: 2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethanesulfinate IUPAC Name: 2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethanesulfinate Traditional Name: 2-[5-(2-sulfonioethyl)-1,5-diazocan-1-yl]ethanesulfinate Formula: C10H22N2O2S2 MolecularWeight: 266.42388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCCN(C1)CCS(=O)[O-])CC[SH2+]

Isomeric SMILES

C1CN(CCCN(C1)CCS(=O)[O-])CC[SH2+]

InChI

InChI=1S/C10H22N2O2S2/c13-16(14)10-8-12-5-1-3-11(7-9-15)4-2-6-12/h15H,1-10H2,(H,13,14)