1,1,2-tricyclohexylguanidine; 2,2,2-tris(chloranyl)ethanoic acid

Systemtic Name: 1,1,2-tricyclohexylguanidine; 2,2,2-tris(chloranyl)ethanoic acid Openeye Name: 2,2,2-trichloroacetic acid; 1,1,2-tricyclohexylguanidine CAS Name: 2,2,2-trichloroacetic acid; 1,1,2-tricyclohexylguanidine IUPAC Name: 2,2,2-trichloroacetic acid; 1,1,2-tricyclohexylguanidine Traditional Name: 2,2,2-trichloroacetic acid; 1,1,2-tricyclohexylguanidine Formula: C21H36Cl3N3O2 MolecularWeight: 468.88844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C(N)N(C2CCCCC2)C3CCCCC3.C(=O)(C(Cl)(Cl)Cl)O

Isomeric SMILES

C1CCC(CC1)N=C(N)N(C2CCCCC2)C3CCCCC3.C(=O)(C(Cl)(Cl)Cl)O

InChI

InChI=1S/C19H35N3.C2HCl3O2/c20-19(21-16-10-4-1-5-11-16)22(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-2(4,5)1(6)7/h16-18H,1-15H2,(H2,20,21);(H,6,7)