2,6-bis(fluoranyl)-4-(hexadec-11-ynylamino)benzoic acid

Systemtic Name: 2,6-bis(fluoranyl)-4-(hexadec-11-ynylamino)benzoic acid Openeye Name: 2,6-difluoro-4-(hexadec-11-ynylamino)benzoic acid CAS Name: 2,6-difluoro-4-(hexadec-11-ynylamino)benzoic acid IUPAC Name: 2,6-difluoro-4-(hexadec-11-ynylamino)benzoic acid Traditional Name: 2,6-difluoro-4-(hexadec-11-ynylamino)benzoic acid Formula: C23H33F2NO2 MolecularWeight: 393.510426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCCCCCCCCCCNC1=CC(=C(C(=C1)F)C(=O)O)F

Isomeric SMILES

CCCCC#CCCCCCCCCCCNC1=CC(=C(C(=C1)F)C(=O)O)F

InChI

InChI=1S/C23H33F2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-19-17-20(24)22(23(27)28)21(25)18-19/h17-18,26H,2-4,7-16H2,1H3,(H,27,28)