5-(octylamino)benzene-1,2,3-tricarboxylic acid

Systemtic Name: 5-(octylamino)benzene-1,2,3-tricarboxylic acid Openeye Name: 5-(octylamino)benzene-1,2,3-tricarboxylic acid CAS Name: 5-(octylamino)benzene-1,2,3-tricarboxylic acid IUPAC Name: 5-(octylamino)benzene-1,2,3-tricarboxylic acid Traditional Name: 5-(octylamino)hemimellitic acid Formula: C17H23NO6 MolecularWeight: 337.36762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCNC1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C17H23NO6/c1-2-3-4-5-6-7-8-18-11-9-12(15(19)20)14(17(23)24)13(10-11)16(21)22/h9-10,18H,2-8H2,1H3,(H,19,20)(H,21,22)(H,23,24)