sodium 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate

Systemtic Name: sodium 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate Openeye Name: sodium 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate CAS Name: sodium 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate IUPAC Name: sodium 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate Traditional Name: sodium 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate Formula: C26H31ClNNaO2 MolecularWeight: 447.97261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)[O-])Cl.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C#CCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C26H32ClNO2.Na/c27-24-17-13-22(14-18-24)12-10-8-6-4-2-1-3-5-7-9-11-21-28-25-19-15-23(16-20-25)26(29)30;/h13-20,28H,1-9,11,21H2,(H,29,30);/q;+1/p-1