(6E)-3-hexylsulfanyl-8-(1-hexylsulfanylpropyl)-6-(oxidanylmethylidene)-8-aza-4-azoniaspiro[3.4]octane-5,7-dione

Systemtic Name: (6E)-3-hexylsulfanyl-8-(1-hexylsulfanylpropyl)-6-(oxidanylmethylidene)-8-aza-4-azoniaspiro[3.4]octane-5,7-dione Openeye Name: (6E)-3-hexylsulfanyl-8-(1-hexylsulfanylpropyl)-6-(hydroxymethylene)-8-aza-4-azoniaspiro[3.4]octane-5,7-dione CAS Name: (6E)-3-(hexylthio)-8-[1-(hexylthio)propyl]-6-(hydroxymethylidene)-8-aza-4-azoniaspiro[3.4]octane-5,7-dione IUPAC Name: (6E)-3-hexylsulfanyl-8-(1-hexylsulfanylpropyl)-6-(hydroxymethylidene)-8-aza-4-azoniaspiro[3.4]octane-5,7-dione Traditional Name: (6E)-3-(hexylthio)-8-[1-(hexylthio)propyl]-6-(hydroxymethylene)-8-aza-4-azoniaspiro[3.4]octane-5,7-quinone Formula: C22H39N2O3S2+ MolecularWeight: 443.68666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1CC[N+]12C(=O)C(=CO)C(=O)N2C(CC)SCCCCCC

Isomeric SMILES

CCCCCCSC1CC[N+]12C(=O)/C(=C/O)/C(=O)N2C(CC)SCCCCCC

InChI

InChI=1S/C22H38N2O3S2/c1-4-7-9-11-15-28-19(6-3)23-21(26)18(17-25)22(27)24(23)14-13-20(24)29-16-12-10-8-5-2/h17,19-20H,4-16H2,1-3H3/p+1