ethyl-(4-octoxy-2-octoxycarbonyl-4-oxidanylidene-butanethioyl)-propan-2-yl-sulfanyl-azanium

Systemtic Name: ethyl-(4-octoxy-2-octoxycarbonyl-4-oxidanylidene-butanethioyl)-propan-2-yl-sulfanyl-azanium Openeye Name: ethyl-isopropyl-(4-octoxy-2-octoxycarbonyl-4-oxo-butanethioyl)-sulfanyl-ammonium CAS Name: ethyl-mercapto-[4-octoxy-2-[octoxy(oxo)methyl]-4-oxo-1-sulfanylidenebutyl]-propan-2-ylammonium IUPAC Name: ethyl-(4-octoxy-2-octoxycarbonyl-4-oxobutanethioyl)-propan-2-yl-sulfanylazanium Traditional Name: ethyl-isopropyl-(4-keto-4-octoxy-2-octoxycarbonyl-butanethioyl)-mercapto-ammonium Formula: C26H50NO4S2+ MolecularWeight: 504.8095

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C(=S)[N+](CC)(C(C)C)S)C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)CC(C(=S)[N+](CC)(C(C)C)S)C(=O)OCCCCCCCC

InChI

InChI=1S/C26H50NO4S2/c1-6-9-11-13-15-17-19-30-24(28)21-23(25(32)27(33,8-3)22(4)5)26(29)31-20-18-16-14-12-10-7-2/h22-23,33H,6-21H2,1-5H3/q+1