4-[13-(3,4-dichlorophenyl)tridec-12-ynylamino]benzoic acid

Systemtic Name: 4-[13-(3,4-dichlorophenyl)tridec-12-ynylamino]benzoic acid Openeye Name: 4-[13-(3,4-dichlorophenyl)tridec-12-ynylamino]benzoic acid CAS Name: 4-[13-(3,4-dichlorophenyl)tridec-12-ynylamino]benzoic acid IUPAC Name: 4-[13-(3,4-dichlorophenyl)tridec-12-ynylamino]benzoic acid Traditional Name: 4-[13-(3,4-dichlorophenyl)tridec-12-ynylamino]benzoic acid Formula: C26H31Cl2NO2 MolecularWeight: 460.43584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCCCCCCCCCCCC#CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCCCCCCCCCCCC#CC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C26H31Cl2NO2/c27-24-18-13-21(20-25(24)28)12-10-8-6-4-2-1-3-5-7-9-11-19-29-23-16-14-22(15-17-23)26(30)31/h13-18,20,29H,1-9,11,19H2,(H,30,31)