(Z,3R)-4-(tert-butyldisulfanyl)-1-diazonio-3-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-en-2-olate

Systemtic Name: (Z,3R)-4-(tert-butyldisulfanyl)-1-diazonio-3-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-en-2-olate Openeye Name: (Z,3R)-4-(tert-butyldisulfanyl)-1-diazonio-3-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-en-2-olate CAS Name: (Z,3R)-4-(tert-butyldisulfanyl)-1-diazonio-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-buten-2-olate IUPAC Name: (Z,3R)-4-(tert-butyldisulfanyl)-1-diazonio-3-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-en-2-olate Traditional Name: (Z,3R)-4-(tert-butyldisulfanyl)-1-diazonio-3-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-en-2-olate Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SSCC(C(=C[N+]#N)[O-])NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

Isomeric SMILES

CC(C)(C)SSC[C@@H](/C(=C/[N+]#N)/[O-])NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C23H25N3O3S2/c1-23(2,3)31-30-14-20(21(27)12-25-24)26-22(28)29-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-12,19-20H,13-14H2,1-3H3,(H-,26,27,28)/b21-12-/t20-/m0/s1