2-(octan-2-ylamino)ethyl 4-azanylbenzoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-(octan-2-ylamino)ethyl 4-azanylbenzoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-(1-methylheptylamino)ethyl 4-aminobenzoate CAS Name: 4-aminobenzoic acid 2-(octan-2-ylamino)ethyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-(octan-2-ylamino)ethyl 4-aminobenzoate Traditional Name: 4-aminobenzoic acid 2-(1-methylheptylamino)ethyl ester; citric acid Formula: C23H36N2O9 MolecularWeight: 484.53994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NCCOC(=O)C1=CC=C(C=C1)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCC(C)NCCOC(=O)C1=CC=C(C=C1)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C17H28N2O2.C6H8O7/c1-3-4-5-6-7-14(2)19-12-13-21-17(20)15-8-10-16(18)11-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-11,14,19H,3-7,12-13,18H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)