4-(9-carboxy-2,7-dimethoxy-10-methyl-acridin-10-ium-1-yl)-3,5-dimethyl-benzoate

Systemtic Name: 4-(9-carboxy-2,7-dimethoxy-10-methyl-acridin-10-ium-1-yl)-3,5-dimethyl-benzoate Openeye Name: 4-(9-carboxy-2,7-dimethoxy-10-methyl-acridin-10-ium-1-yl)-3,5-dimethyl-benzoate CAS Name: 4-(9-carboxy-2,7-dimethoxy-10-methyl-1-acridin-10-iumyl)-3,5-dimethylbenzoate IUPAC Name: 4-(9-carboxy-2,7-dimethoxy-10-methylacridin-10-ium-1-yl)-3,5-dimethylbenzoate Traditional Name: 4-(9-carboxy-2,7-dimethoxy-10-methyl-acridin-10-ium-1-yl)-3,5-dimethyl-benzoate Formula: C26H23NO6 MolecularWeight: 445.46392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=C(C=CC3=C2C(=C4C=C(C=CC4=[N+]3C)OC)C(=O)O)OC)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C2=C(C=CC3=C2C(=C4C=C(C=CC4=[N+]3C)OC)C(=O)O)OC)C)C(=O)[O-]

InChI

InChI=1S/C26H23NO6/c1-13-10-15(25(28)29)11-14(2)21(13)24-20(33-5)9-8-19-23(24)22(26(30)31)17-12-16(32-4)6-7-18(17)27(19)3/h6-12H,1-5H3,(H-,28,29,30,31)