(Z)-1-[(8aR,9S)-4-acetyloxy-1-bromanyl-3-methoxy-6-oxidanylidene-8,8a,9,10-tetrahydro-7H-phenanthren-9-yl]-2-diazonio-ethenolate

Systemtic Name: (Z)-1-[(8aR,9S)-4-acetyloxy-1-bromanyl-3-methoxy-6-oxidanylidene-8,8a,9,10-tetrahydro-7H-phenanthren-9-yl]-2-diazonio-ethenolate Openeye Name: (Z)-1-[(8aR,9S)-4-acetoxy-1-bromo-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthren-9-yl]-2-diazonio-ethenolate CAS Name: (Z)-1-[(8aR,9S)-4-acetyloxy-1-bromo-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthren-9-yl]-2-diazonioethenolate IUPAC Name: (Z)-1-[(8aR,9S)-4-acetyloxy-1-bromo-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthren-9-yl]-2-diazonioethenolate Traditional Name: (Z)-1-[(8aR,9S)-4-acetoxy-1-bromo-6-keto-3-methoxy-8,8a,9,10-tetrahydro-7H-phenanthren-9-yl]-2-diazonio-ethenolate Formula: C19H17BrN2O5 MolecularWeight: 433.25268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C2C(=C(C=C1OC)Br)CC(C3C2=CC(=O)CC3)C(=C[N+]#N)[O-]

Isomeric SMILES

CC(=O)OC1=C2C(=C(C=C1OC)Br)C[C@@H]([C@@H]3C2=CC(=O)CC3)/C(=C/[N+]#N)/[O-]

InChI

InChI=1S/C19H17BrN2O5/c1-9(23)27-19-17(26-2)7-15(20)14-6-12(16(25)8-22-21)11-4-3-10(24)5-13(11)18(14)19/h5,7-8,11-12H,3-4,6H2,1-2H3/b16-8-/t11-,12+/m1/s1