4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl chloride hydrochloride

Systemtic Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl chloride hydrochloride Openeye Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl chloride hydrochloride CAS Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl chloride hydrochloride IUPAC Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl chloride hydrochloride Traditional Name: 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoyl chloride hydrochloride Formula: C26H32Cl3NO MolecularWeight: 480.89738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)Cl)Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1C#CCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)Cl)Cl.Cl

InChI

InChI=1S/C26H31Cl2NO.ClH/c27-24-17-13-22(14-18-24)12-10-8-6-4-2-1-3-5-7-9-11-21-29-25-19-15-23(16-20-25)26(28)30;/h13-20,29H,1-9,11,21H2;1H