4-chloranylbenzoic acid; 8-cyclononyl-1,5-diazonan-7-ol; dihydrochloride

Systemtic Name: 4-chloranylbenzoic acid; 8-cyclononyl-1,5-diazonan-7-ol; dihydrochloride Openeye Name: 4-chlorobenzoic acid; 8-cyclononyl-1,5-diazonan-7-ol; dihydrochloride CAS Name: 4-chlorobenzoic acid; 8-cyclononyl-1,5-diazonan-7-ol; dihydrochloride IUPAC Name: 4-chlorobenzoic acid; 8-cyclononyl-1,5-diazonan-7-ol; dihydrochloride Traditional Name: 4-chlorobenzoic acid; 8-cyclononyl-1,5-diazonan-7-ol; dihydrochloride Formula: C23H39Cl3N2O3 MolecularWeight: 497.92636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCC(CCC1)C2CNCCCNCC2O.C1=CC(=CC=C1C(=O)O)Cl.Cl.Cl

Isomeric SMILES

C1CCCCC(CCC1)C2CNCCCNCC2O.C1=CC(=CC=C1C(=O)O)Cl.Cl.Cl

InChI

InChI=1S/C16H32N2O.C7H5ClO2.2ClH/c19-16-13-18-11-7-10-17-12-15(16)14-8-5-3-1-2-4-6-9-14;8-6-3-1-5(2-4-6)7(9)10;;/h14-19H,1-13H2;1-4H,(H,9,10);2*1H