(4-oxidanylidene-4-pentoxy-2-pentoxycarbonyl-butanethioyl)-di(propan-2-yl)-sulfanyl-azanium

Systemtic Name: (4-oxidanylidene-4-pentoxy-2-pentoxycarbonyl-butanethioyl)-di(propan-2-yl)-sulfanyl-azanium Openeye Name: diisopropyl-(4-oxo-4-pentoxy-2-pentoxycarbonyl-butanethioyl)-sulfanyl-ammonium CAS Name: mercapto-[4-oxo-2-[oxo(pentoxy)methyl]-4-pentoxy-1-sulfanylidenebutyl]-di(propan-2-yl)ammonium IUPAC Name: (4-oxo-4-pentoxy-2-pentoxycarbonylbutanethioyl)-di(propan-2-yl)-sulfanylazanium Traditional Name: (4-amoxy-2-amoxycarbonyl-4-keto-butanethioyl)-diisopropyl-mercapto-ammonium Formula: C21H40NO4S2+ MolecularWeight: 434.6766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC(C(=S)[N+](C(C)C)(C(C)C)S)C(=O)OCCCCC

Isomeric SMILES

CCCCCOC(=O)CC(C(=S)[N+](C(C)C)(C(C)C)S)C(=O)OCCCCC

InChI

InChI=1S/C21H40NO4S2/c1-7-9-11-13-25-19(23)15-18(21(24)26-14-12-10-8-2)20(27)22(28,16(3)4)17(5)6/h16-18,28H,7-15H2,1-6H3/q+1