sodium 4-[3,3-bis(4-chlorophenyl)prop-2-enylamino]benzoate

Systemtic Name: sodium 4-[3,3-bis(4-chlorophenyl)prop-2-enylamino]benzoate Openeye Name: sodium 4-[3,3-bis(4-chlorophenyl)allylamino]benzoate CAS Name: sodium 4-[3,3-bis(4-chlorophenyl)prop-2-enylamino]benzoate IUPAC Name: sodium 4-[3,3-bis(4-chlorophenyl)prop-2-enylamino]benzoate Traditional Name: sodium 4-[3,3-bis(4-chlorophenyl)allylamino]benzoate Formula: C22H16Cl2NNaO2 MolecularWeight: 420.26371

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17Cl2NO2.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;/h1-13,25H,14H2,(H,26,27);/q;+1/p-1