benzene-1,3-dicarboxylic acid; 2,2,4-trimethyl-3-azabicyclo[2.2.2]octan-6-ol

Systemtic Name: benzene-1,3-dicarboxylic acid; 2,2,4-trimethyl-3-azabicyclo[2.2.2]octan-6-ol Openeye Name: isophthalic acid; 2,2,4-trimethyl-3-azabicyclo[2.2.2]octan-6-ol CAS Name: benzene-1,3-dicarboxylic acid; 2,2,4-trimethyl-3-azabicyclo[2.2.2]octan-6-ol IUPAC Name: benzene-1,3-dicarboxylic acid; 2,2,4-trimethyl-3-azabicyclo[2.2.2]octan-6-ol Traditional Name: isophthalic acid; 2,2,4-trimethyl-3-azabicyclo[2.2.2]octan-6-ol Formula: C28H44N2O6 MolecularWeight: 504.65876

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(N1)(CC2O)C)C.CC1(C2CCC(N1)(CC2O)C)C.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC1(C2CCC(N1)(CC2O)C)C.CC1(C2CCC(N1)(CC2O)C)C.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/2C10H19NO.C8H6O4/c2*1-9(2)7-4-5-10(3,11-9)6-8(7)12;9-7(10)5-2-1-3-6(4-5)8(11)12/h2*7-8,11-12H,4-6H2,1-3H3;1-4H,(H,9,10)(H,11,12)