benzene-1,3-dicarboxylic acid; henicosane-1,3-diamine

Systemtic Name: benzene-1,3-dicarboxylic acid; henicosane-1,3-diamine Openeye Name: henicosane-1,3-diamine; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; heneicosane-1,3-diamine IUPAC Name: benzene-1,3-dicarboxylic acid; henicosane-1,3-diamine Traditional Name: 1-(2-aminoethyl)nonadecylamine; isophthalic acid Formula: C29H52N2O4 MolecularWeight: 492.73418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCN)N.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCN)N.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C21H46N2.C8H6O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22;9-7(10)5-2-1-3-6(4-5)8(11)12/h21H,2-20,22-23H2,1H3;1-4H,(H,9,10)(H,11,12)