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

Systemtic Name: sodium 4-[3,3-bis(4-chlorophenyl)propanoylamino]benzoate Openeye Name: sodium 4-[3,3-bis(4-chlorophenyl)propanoylamino]benzoate CAS Name: sodium 4-[[3,3-bis(4-chlorophenyl)-1-oxopropyl]amino]benzoate IUPAC Name: sodium 4-[3,3-bis(4-chlorophenyl)propanoylamino]benzoate Traditional Name: sodium 4-[3,3-bis(4-chlorophenyl)propanoylamino]benzoate Formula: C22H16Cl2NNaO3 MolecularWeight: 436.26311

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)NC2=CC=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)Cl)Cl.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)NC2=CC=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)Cl)Cl.[Na+]

InChI

InChI=1S/C22H17Cl2NO3.Na/c23-17-7-1-14(2-8-17)20(15-3-9-18(24)10-4-15)13-21(26)25-19-11-5-16(6-12-19)22(27)28;/h1-12,20H,13H2,(H,25,26)(H,27,28);/q;+1/p-1