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benzene-1,3,5-tricarboxylic acid; N-octyloctan-1-amine

benzene-1,3,5-tricarboxylic acid; N-octyloctan-1-amine

Systemtic Name:benzene-1,3,5-tricarboxylic acid; N-octyloctan-1-amine
Openeye Name:benzene-1,3,5-tricarboxylic acid; N-octyloctan-1-amine
CAS Name:benzene-1,3,5-tricarboxylic acid; N-octyl-1-octanamine
IUPAC Name:benzene-1,3,5-tricarboxylic acid; N-octyloctan-1-amine
Traditional Name:dioctylamine; trimesic acid
Formula: C41H76N2O6
MolecularWeight: 693.05194
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCCCCCCCC.CCCCCCCCNCCCCCCCC.C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O


Isomeric SMILES

CCCCCCCCNCCCCCCCC.CCCCCCCCNCCCCCCCC.C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O


InChI

InChI=1S/2C16H35N.C9H6O6/c2*1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h2*17H,3-16H2,1-2H3;1-3H,(H,10,11)(H,12,13)(H,14,15)


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