(4aS,10aR)-1-diazonio-8-methoxy-4a-methyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-olate

Systemtic Name: (4aS,10aR)-1-diazonio-8-methoxy-4a-methyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-olate Openeye Name: (4aS,10aR)-1-diazonio-8-methoxy-4a-methyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-olate CAS Name: (4aS,10aR)-1-diazonio-8-methoxy-4a-methyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-olate IUPAC Name: (4aS,10aR)-1-diazonio-8-methoxy-4a-methyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-olate Traditional Name: (4aS,10aR)-1-diazonio-8-methoxy-4a-methyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-olate Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=C(C1CCC3=C2C=CC=C3OC)[N+]#N)[O-]

Isomeric SMILES

C[C@]12CCC(=C([C@@H]1CCC3=C2C=CC=C3OC)[N+]#N)[O-]

InChI

InChI=1S/C16H18N2O2/c1-16-9-8-13(19)15(18-17)12(16)7-6-10-11(16)4-3-5-14(10)20-2/h3-5,12H,6-9H2,1-2H3/t12-,16+/m0/s1