5-(dodecan-2-ylamino)benzene-1,2,3-tricarboxylic acid

Systemtic Name: 5-(dodecan-2-ylamino)benzene-1,2,3-tricarboxylic acid Openeye Name: 5-(1-methylundecylamino)benzene-1,2,3-tricarboxylic acid CAS Name: 5-(dodecan-2-ylamino)benzene-1,2,3-tricarboxylic acid IUPAC Name: 5-(dodecan-2-ylamino)benzene-1,2,3-tricarboxylic acid Traditional Name: 5-(1-methylundecylamino)hemimellitic acid Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)NC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCC(C)NC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C21H31NO6/c1-3-4-5-6-7-8-9-10-11-14(2)22-15-12-16(19(23)24)18(21(27)28)17(13-15)20(25)26/h12-14,22H,3-11H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)