2-(dodecylcarbamoyl)terephthalic acid

Systemtic Name: 2-(dodecylcarbamoyl)terephthalic acid Openeye Name: 2-(dodecylcarbamoyl)terephthalic acid CAS Name: 2-[(dodecylamino)-oxomethyl]terephthalic acid IUPAC Name: 2-(dodecylcarbamoyl)terephthalic acid Traditional Name: 2-(laurylcarbamoyl)terephthalic acid Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C21H31NO5/c1-2-3-4-5-6-7-8-9-10-11-14-22-19(23)18-15-16(20(24)25)12-13-17(18)21(26)27/h12-13,15H,2-11,14H2,1H3,(H,22,23)(H,24,25)(H,26,27)