benzoic acid; ditert-butyl 8-cyclononyl-7-methyl-7-oxidanyl-1,5-diazonane-1,5-dicarboxylate

Systemtic Name: benzoic acid; ditert-butyl 8-cyclononyl-7-methyl-7-oxidanyl-1,5-diazonane-1,5-dicarboxylate Openeye Name: benzoic acid; ditert-butyl 8-cyclononyl-7-hydroxy-7-methyl-1,5-diazonane-1,5-dicarboxylate CAS Name: benzoic acid; 8-cyclononyl-7-hydroxy-7-methyl-1,5-diazonane-1,5-dicarboxylic acid ditert-butyl ester IUPAC Name: benzoic acid; ditert-butyl 8-cyclononyl-7-hydroxy-7-methyl-1,5-diazonane-1,5-dicarboxylate Traditional Name: benzoic acid; 8-cyclononyl-7-hydroxy-7-methyl-1,5-diazonane-1,5-dicarboxylic acid ditert-butyl ester Formula: C34H56N2O7 MolecularWeight: 604.81764

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCCN(CC1C2CCCCCCCC2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1(CN(CCCN(CC1C2CCCCCCCC2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C27H50N2O5.C7H6O2/c1-25(2,3)33-23(30)28-17-14-18-29(24(31)34-26(4,5)6)20-27(7,32)22(19-28)21-15-12-10-8-9-11-13-16-21;8-7(9)6-4-2-1-3-5-6/h21-22,32H,8-20H2,1-7H3;1-5H,(H,8,9)