oxidanium; copper(1+); [N-[(5-octoxycarbonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-C-octylsulfanyl-carbonimidoyl]azanide

Systemtic Name: oxidanium; copper(1+); [N-[(5-octoxycarbonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-C-octylsulfanyl-carbonimidoyl]azanide Openeye Name: cuprous oxonium [N-[(5-octoxycarbonyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-C-octylsulfanyl-carbonimidoyl]azanide CAS Name: oxonium; copper(1+); [[[5-[octoxy(oxo)methyl]-6-oxo-1-cyclohexa-2,4-dienylidene]methylhydrazinylidene]-(octylthio)methyl]azanide IUPAC Name: oxidanium; copper(1+); [N-[(5-octoxycarbonyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-C-octylsulfanylcarbonimidoyl]azanide Traditional Name: cuprous oxonium [N-[(6-keto-5-octoxycarbonyl-cyclohexa-2,4-dien-1-ylidene)methylamino]-C-(octylthio)carbonimidoyl]azanide Formula: C25H43CuN3O4S+ MolecularWeight: 545.23762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=CC(=CNN=C([NH-])SCCCCCCCC)C1=O.[OH3+].[Cu+]

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=CC(=CNN=C([NH-])SCCCCCCCC)C1=O.[OH3+].[Cu+]

InChI

InChI=1S/C25H41N3O3S.Cu.H2O/c1-3-5-7-9-11-13-18-31-24(30)22-17-15-16-21(23(22)29)20-27-28-25(26)32-19-14-12-10-8-6-4-2;;/h15-17,20H,3-14,18-19H2,1-2H3,(H3,26,27,28,29,30);;1H2/q;+1;