4-(2,2-dimethyl-4-oxidanylidene-1,3,5,6-tetrahydrobenzo[a]phenanthridin-6-ium-5-yl)-2,6-dimethoxy-phenolate

Systemtic Name: 4-(2,2-dimethyl-4-oxidanylidene-1,3,5,6-tetrahydrobenzo[a]phenanthridin-6-ium-5-yl)-2,6-dimethoxy-phenolate Openeye Name: 4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-6-ium-5-yl)-2,6-dimethoxy-phenolate CAS Name: 4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-6-ium-5-yl)-2,6-dimethoxyphenolate IUPAC Name: 4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-6-ium-5-yl)-2,6-dimethoxyphenolate Traditional Name: 4-(4-keto-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-6-ium-5-yl)-2,6-dimethoxy-phenolate Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C([NH2+]C3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C(=C5)OC)[O-])OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C([NH2+]C3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C(=C5)OC)[O-])OC)C(=O)C1)C

InChI

InChI=1S/C27H27NO4/c1-27(2)13-18-23-17-8-6-5-7-15(17)9-10-19(23)28-25(24(18)20(29)14-27)16-11-21(31-3)26(30)22(12-16)32-4/h5-12,25,28,30H,13-14H2,1-4H3