N,N-dimethylbenzamide; [2-(2,2-dimethylpentanoyloxy)-4-methanoyl-phenyl] 2,2-dimethylpentanoate; methanesulfonate

Systemtic Name: N,N-dimethylbenzamide; [2-(2,2-dimethylpentanoyloxy)-4-methanoyl-phenyl] 2,2-dimethylpentanoate; methanesulfonate Openeye Name: N,N-dimethylbenzamide; [2-(2,2-dimethylpentanoyloxy)-4-formyl-phenyl] 2,2-dimethylpentanoate; methanesulfonate CAS Name: N,N-dimethylbenzamide; 2,2-dimethylpentanoic acid [2-(2,2-dimethyl-1-oxopentoxy)-4-formylphenyl] ester; methanesulfonate IUPAC Name: N,N-dimethylbenzamide; [2-(2,2-dimethylpentanoyloxy)-4-formylphenyl] 2,2-dimethylpentanoate; methanesulfonate Traditional Name: N,N-dimethylbenzamide; 2,2-dimethylvaleric acid [2-(2,2-dimethylpentanoyloxy)-4-formyl-phenyl] ester; mesylate Formula: C31H44NO9S- MolecularWeight: 606.74736

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C(=O)OC1=C(C=C(C=C1)C=O)OC(=O)C(C)(C)CCC.CN(C)C(=O)C1=CC=CC=C1.CS(=O)(=O)[O-]

Isomeric SMILES

CCCC(C)(C)C(=O)OC1=C(C=C(C=C1)C=O)OC(=O)C(C)(C)CCC.CN(C)C(=O)C1=CC=CC=C1.CS(=O)(=O)[O-]

InChI

InChI=1S/C21H30O5.C9H11NO.CH4O3S/c1-7-11-20(3,4)18(23)25-16-10-9-15(14-22)13-17(16)26-19(24)21(5,6)12-8-2;1-10(2)9(11)8-6-4-3-5-7-8;1-5(2,3)4/h9-10,13-14H,7-8,11-12H2,1-6H3;3-7H,1-2H3;1H3,(H,2,3,4)/p-1