didodecyl-(4-oxidanylidene-4-propan-2-yloxy-2-propan-2-yloxycarbonyl-butanethioyl)-sulfanyl-azanium

Systemtic Name: didodecyl-(4-oxidanylidene-4-propan-2-yloxy-2-propan-2-yloxycarbonyl-butanethioyl)-sulfanyl-azanium Openeye Name: didodecyl-(4-isopropoxy-2-isopropoxycarbonyl-4-oxo-butanethioyl)-sulfanyl-ammonium CAS Name: didodecyl-mercapto-[4-oxo-2-[oxo(propan-2-yloxy)methyl]-4-propan-2-yloxy-1-sulfanylidenebutyl]ammonium IUPAC Name: didodecyl-(4-oxo-4-propan-2-yloxy-2-propan-2-yloxycarbonylbutanethioyl)-sulfanylazanium Traditional Name: (4-isopropoxy-2-isopropoxycarbonyl-4-keto-butanethioyl)-dilauryl-mercapto-ammonium Formula: C35H68NO4S2+ MolecularWeight: 631.04872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(C(=S)C(CC(=O)OC(C)C)C(=O)OC(C)C)S

Isomeric SMILES

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(C(=S)C(CC(=O)OC(C)C)C(=O)OC(C)C)S

InChI

InChI=1S/C35H68NO4S2/c1-7-9-11-13-15-17-19-21-23-25-27-36(42,28-26-24-22-20-18-16-14-12-10-8-2)34(41)32(35(38)40-31(5)6)29-33(37)39-30(3)4/h30-32,42H,7-29H2,1-6H3/q+1