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

Systemtic Name: (Z,5S)-2-oxidanyl-6-oxidanylidene-6-phenylmethoxy-5-(phenylmethoxycarbonylamino)hex-1-ene-1-diazonium Openeye Name: (Z,5S)-6-benzyloxy-5-(benzyloxycarbonylamino)-2-hydroxy-6-oxo-hex-1-ene-1-diazonium CAS Name: (Z,5S)-2-hydroxy-6-oxo-6-phenylmethoxy-5-(phenylmethoxycarbonylamino)-1-hexene-1-diazonium IUPAC Name: (Z,5S)-2-hydroxy-6-oxo-6-phenylmethoxy-5-(phenylmethoxycarbonylamino)hex-1-ene-1-diazonium Traditional Name: (Z,5S)-6-benzoxy-5-(benzyloxycarbonylamino)-2-hydroxy-6-keto-hex-1-ene-1-diazonium Formula: C21H22N3O5+ MolecularWeight: 396.41648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCC(=C[N+]#N)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CC/C(=C/[N+]#N)/O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H21N3O5/c22-23-13-18(25)11-12-19(20(26)28-14-16-7-3-1-4-8-16)24-21(27)29-15-17-9-5-2-6-10-17/h1-10,13,19H,11-12,14-15H2,(H-,24,25,27)/p+1/b18-13-/t19-/m0/s1