(1Z)-3-[(3E)-1-oxidanylidene-1-pyrrolidin-1-yl-3-triphenylphosphaniumylimino-propan-2-yl]cyclododecen-1-olate

Systemtic Name: (1Z)-3-[(3E)-1-oxidanylidene-1-pyrrolidin-1-yl-3-triphenylphosphaniumylimino-propan-2-yl]cyclododecen-1-olate Openeye Name: (1Z)-3-[2-oxo-2-pyrrolidin-1-yl-1-[(E)-triphenylphosphaniumyliminomethyl]ethyl]cyclododecen-1-olate CAS Name: (1Z)-3-[(3E)-1-oxo-1-(1-pyrrolidinyl)-3-triphenylphosphiniumyliminopropan-2-yl]-1-cyclododecenolate IUPAC Name: (1Z)-3-[(3E)-1-oxo-1-pyrrolidin-1-yl-3-triphenylphosphaniumyliminopropan-2-yl]cyclododecen-1-olate Traditional Name: (1Z)-3-[2-keto-2-pyrrolidino-1-[(E)-triphenylphosphiniumyliminomethyl]ethyl]cyclododecen-1-olate Formula: C37H45N2O2P MolecularWeight: 580.739161

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCC(C=C(CCCC1)[O-])C(C=N[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N5CCCC5

Isomeric SMILES

C1CCCCC(/C=C(/CCCC1)\[O-])C(/C=N/[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N5CCCC5

InChI

InChI=1S/C37H45N2O2P/c40-32-20-10-5-3-1-2-4-9-19-31(29-32)36(37(41)39-27-17-18-28-39)30-38-42(33-21-11-6-12-22-33,34-23-13-7-14-24-34)35-25-15-8-16-26-35/h6-8,11-16,21-26,29-31,36H,1-5,9-10,17-20,27-28H2/b32-29-,38-30+