phenyl 2-methoxy-5-methyl-benzo[b]acridin-5-ium-12-carboxylate dichloride

Systemtic Name: phenyl 2-methoxy-5-methyl-benzo[b]acridin-5-ium-12-carboxylate dichloride Openeye Name: phenyl 2-methoxy-5-methyl-benzo[b]acridin-5-ium-12-carboxylate dichloride CAS Name: 2-methoxy-5-methyl-12-benzo[b]acridin-5-iumcarboxylic acid phenyl ester dichloride IUPAC Name: phenyl 2-methoxy-5-methylbenzo[b]acridin-5-ium-12-carboxylate dichloride Traditional Name: 2-methoxy-5-methyl-benz[b]acridin-5-ium-12-carboxylic acid phenyl ester dichloride Formula: C26H20Cl2NO3- MolecularWeight: 465.3479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC(=CC2=C(C3=CC4=CC=CC=C4C=C31)C(=O)OC5=CC=CC=C5)OC.[Cl-].[Cl-]

Isomeric SMILES

C[N+]1=C2C=CC(=CC2=C(C3=CC4=CC=CC=C4C=C31)C(=O)OC5=CC=CC=C5)OC.[Cl-].[Cl-]

InChI

InChI=1S/C26H20NO3.2ClH/c1-27-23-13-12-20(29-2)16-22(23)25(26(28)30-19-10-4-3-5-11-19)21-14-17-8-6-7-9-18(17)15-24(21)27;;/h3-16H,1-2H3;2*1H/q+1;;/p-2