(E)-but-2-ene-1-thiolate; dibutyl-(2,3-dihydro-1-benzofuran-7-yloxycarbonyl)-propyl-azanium

Systemtic Name: (E)-but-2-ene-1-thiolate; dibutyl-(2,3-dihydro-1-benzofuran-7-yloxycarbonyl)-propyl-azanium Openeye Name: (E)-but-2-ene-1-thiolate; dibutyl-(2,3-dihydrobenzofuran-7-yloxycarbonyl)-propyl-ammonium CAS Name: (E)-2-butene-1-thiolate; dibutyl-[2,3-dihydrobenzofuran-7-yloxy(oxo)methyl]-propylammonium IUPAC Name: (E)-but-2-ene-1-thiolate; dibutyl-(2,3-dihydro-1-benzofuran-7-yloxycarbonyl)-propylazanium Traditional Name: (E)-but-2-ene-1-thiolate; dibutyl-coumaran-7-yloxycarbonyl-propyl-ammonium Formula: C24H39NO3S MolecularWeight: 421.63636

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCC)(CCCC)C(=O)OC1=CC=CC2=C1OCC2.CC=CC[S-]

Isomeric SMILES

CCCC[N+](CCC)(CCCC)C(=O)OC1=CC=CC2=C1OCC2.C/C=C/C[S-]

InChI

InChI=1S/C20H32NO3.C4H8S/c1-4-7-14-21(13-6-3,15-8-5-2)20(22)24-18-11-9-10-17-12-16-23-19(17)18;1-2-3-4-5/h9-11H,4-8,12-16H2,1-3H3;2-3,5H,4H2,1H3/q+1;/p-1/b;3-2+