(E,3R,4S)-4-[bis(phenylmethyl)amino]-1-diazonio-5-phenyl-3-phenylmethoxy-pent-1-en-2-olate

Systemtic Name: (E,3R,4S)-4-[bis(phenylmethyl)amino]-1-diazonio-5-phenyl-3-phenylmethoxy-pent-1-en-2-olate Openeye Name: (E,3R,4S)-3-benzyloxy-1-diazonio-4-(dibenzylamino)-5-phenyl-pent-1-en-2-olate CAS Name: (E,3R,4S)-4-[bis(phenylmethyl)amino]-1-diazonio-5-phenyl-3-phenylmethoxy-1-penten-2-olate IUPAC Name: (E,3R,4S)-1-diazonio-4-(dibenzylamino)-5-phenyl-3-phenylmethoxypent-1-en-2-olate Traditional Name: (E,3R,4S)-3-benzoxy-1-diazonio-4-(dibenzylamino)-5-phenyl-pent-1-en-2-olate Formula: C32H31N3O2 MolecularWeight: 489.60744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(C(=C[N+]#N)[O-])OCC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]([C@H](/C(=C\[N+]#N)/[O-])OCC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C32H31N3O2/c33-34-22-31(36)32(37-25-29-19-11-4-12-20-29)30(21-26-13-5-1-6-14-26)35(23-27-15-7-2-8-16-27)24-28-17-9-3-10-18-28/h1-20,22,30,32H,21,23-25H2/b31-22+/t30-,32+/m0/s1