cyclobutane-1,2-dicarboxylic acid; [2-methoxy-4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl] ethanoate; tetrabromide

Systemtic Name: cyclobutane-1,2-dicarboxylic acid; [2-methoxy-4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl] ethanoate; tetrabromide Openeye Name: cyclobutane-1,2-dicarboxylic acid; [2-methoxy-4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl] acetate; tetrabromide CAS Name: acetic acid [2-methoxy-4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl] ester; cyclobutane-1,2-dicarboxylic acid; tetrabromide IUPAC Name: cyclobutane-1,2-dicarboxylic acid; [2-methoxy-4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl] acetate; tetrabromide Traditional Name: acetic acid [2-methoxy-4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl] ester; cyclobutane-1,2-dicarboxylic acid; tetrabromide Formula: C42H60Br4N2O10-2 MolecularWeight: 1072.5492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C[N+]2(C3CCCC2CC3)C)OC.CC(=O)OC1=C(C=C(C=C1)C[N+]2(C3CCCC2CC3)C)OC.C1CC(C1C(=O)O)C(=O)O.[Br-].[Br-].[Br-].[Br-]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C[N+]2(C3CCCC2CC3)C)OC.CC(=O)OC1=C(C=C(C=C1)C[N+]2(C3CCCC2CC3)C)OC.C1CC(C1C(=O)O)C(=O)O.[Br-].[Br-].[Br-].[Br-]

InChI

InChI=1S/2C18H26NO3.C6H8O4.4BrH/c2*1-13(20)22-17-10-7-14(11-18(17)21-3)12-19(2)15-5-4-6-16(19)9-8-15;7-5(8)3-1-2-4(3)6(9)10;;;;/h2*7,10-11,15-16H,4-6,8-9,12H2,1-3H3;3-4H,1-2H2,(H,7,8)(H,9,10);4*1H/q2*+1;;;;;/p-4