(2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 10-methylacridin-10-ium-9-carboxylate; methyl sulfate

Systemtic Name: (2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 10-methylacridin-10-ium-9-carboxylate; methyl sulfate Openeye Name: (4-benzyloxycarbonyl-2,6-dimethyl-phenyl) 10-methylacridin-10-ium-9-carboxylate; methyl sulfate CAS Name: 10-methyl-9-acridin-10-iumcarboxylic acid (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) ester; methyl sulfate IUPAC Name: (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 10-methylacridin-10-ium-9-carboxylate; methyl sulfate Traditional Name: 10-methylacridin-10-ium-9-carboxylic acid (4-carbobenzoxy-2,6-dimethyl-phenyl) ester; methyl sulfate Formula: C32H29NO8S MolecularWeight: 587.63956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C)C)C(=O)OCC5=CC=CC=C5.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C)C)C(=O)OCC5=CC=CC=C5.COS(=O)(=O)[O-]

InChI

InChI=1S/C31H26NO4.CH4O4S/c1-20-17-23(30(33)35-19-22-11-5-4-6-12-22)18-21(2)29(20)36-31(34)28-24-13-7-9-15-26(24)32(3)27-16-10-8-14-25(27)28;1-5-6(2,3)4/h4-18H,19H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1