(Z,5S)-2-oxidanyl-6-oxidanylidene-6-phenacyloxy-5-(phenylmethoxycarbonylamino)hex-1-ene-1-diazonium

Systemtic Name: (Z,5S)-2-oxidanyl-6-oxidanylidene-6-phenacyloxy-5-(phenylmethoxycarbonylamino)hex-1-ene-1-diazonium Openeye Name: (Z,5S)-5-(benzyloxycarbonylamino)-2-hydroxy-6-oxo-6-phenacyloxy-hex-1-ene-1-diazonium CAS Name: (Z,5S)-2-hydroxy-6-oxo-6-phenacyloxy-5-(phenylmethoxycarbonylamino)-1-hexene-1-diazonium IUPAC Name: (Z,5S)-2-hydroxy-6-oxo-6-phenacyloxy-5-(phenylmethoxycarbonylamino)hex-1-ene-1-diazonium Traditional Name: (Z,5S)-5-(benzyloxycarbonylamino)-2-hydroxy-6-keto-6-phenacyloxy-hex-1-ene-1-diazonium Formula: C22H22N3O6+ MolecularWeight: 424.42658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCC(=C[N+]#N)O)C(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC/C(=C/[N+]#N)/O)C(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H21N3O6/c23-24-13-18(26)11-12-19(25-22(29)31-14-16-7-3-1-4-8-16)21(28)30-15-20(27)17-9-5-2-6-10-17/h1-10,13,19H,11-12,14-15H2,(H-,25,26,29)/p+1/b18-13-/t19-/m0/s1