(7S)-1,2,3-trimethoxy-7-(methylazaniumyl)-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-olate

Systemtic Name: (7S)-1,2,3-trimethoxy-7-(methylazaniumyl)-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-olate Openeye Name: (7S)-1,2,3-trimethoxy-7-(methylammonio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-olate CAS Name: (7S)-1,2,3-trimethoxy-7-(methylammonio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-olate IUPAC Name: (7S)-1,2,3-trimethoxy-7-(methylazaniumyl)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-olate Traditional Name: (7S)-9-keto-1,2,3-trimethoxy-7-(methylammonio)-6,7-dihydro-5H-benzo[a]heptalen-10-olate Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)[O-])OC)OC)OC

Isomeric SMILES

C[NH2+][C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)[O-])OC)OC)OC

InChI

InChI=1S/C20H23NO5/c1-21-14-7-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12-6-8-15(22)16(23)10-13(12)14/h6,8-10,14,21H,5,7H2,1-4H3,(H,22,23)/t14-/m0/s1