sodium 4-[3,3-bis(4-chlorophenyl)propylamino]benzoate

Systemtic Name: sodium 4-[3,3-bis(4-chlorophenyl)propylamino]benzoate Openeye Name: sodium 4-[3,3-bis(4-chlorophenyl)propylamino]benzoate CAS Name: sodium 4-[3,3-bis(4-chlorophenyl)propylamino]benzoate IUPAC Name: sodium 4-[3,3-bis(4-chlorophenyl)propylamino]benzoate Traditional Name: sodium 4-[3,3-bis(4-chlorophenyl)propylamino]benzoate Formula: C22H18Cl2NNaO2 MolecularWeight: 422.27959

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCNC2=CC=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)Cl)Cl.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(CCNC2=CC=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)Cl)Cl.[Na+]

InChI

InChI=1S/C22H19Cl2NO2.Na/c23-18-7-1-15(2-8-18)21(16-3-9-19(24)10-4-16)13-14-25-20-11-5-17(6-12-20)22(26)27;/h1-12,21,25H,13-14H2,(H,26,27);/q;+1/p-1