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

Systemtic Name: (Z)-1-[(8aR,9S)-4-acetyloxy-3-methoxy-6-oxidanylidene-8,8a,9,10-tetrahydro-7H-phenanthren-9-yl]-2-diazonio-ethenolate Openeye Name: (Z)-1-[(8aR,9S)-4-acetoxy-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthren-9-yl]-2-diazonio-ethenolate CAS Name: (Z)-1-[(8aR,9S)-4-acetyloxy-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthren-9-yl]-2-diazonioethenolate IUPAC Name: (Z)-1-[(8aR,9S)-4-acetyloxy-3-methoxy-6-oxo-8,8a,9,10-tetrahydro-7H-phenanthren-9-yl]-2-diazonioethenolate Traditional Name: (Z)-1-[(8aR,9S)-4-acetoxy-6-keto-3-methoxy-8,8a,9,10-tetrahydro-7H-phenanthren-9-yl]-2-diazonio-ethenolate Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC2=C1C3=CC(=O)CCC3C(C2)C(=C[N+]#N)[O-])OC

Isomeric SMILES

CC(=O)OC1=C(C=CC2=C1C3=CC(=O)CC[C@@H]3[C@H](C2)/C(=C/[N+]#N)/[O-])OC

InChI

InChI=1S/C19H18N2O5/c1-10(22)26-19-17(25-2)6-3-11-7-14(16(24)9-21-20)13-5-4-12(23)8-15(13)18(11)19/h3,6,8-9,13-14H,4-5,7H2,1-2H3/b16-9-/t13-,14+/m1/s1