benzene-1,3-dicarboxylic acid; cyclodecane; cyclodecylmethanediamine

Systemtic Name: benzene-1,3-dicarboxylic acid; cyclodecane; cyclodecylmethanediamine Openeye Name: cyclodecane; cyclodecylmethanediamine; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; cyclodecane; cyclodecylmethanediamine IUPAC Name: benzene-1,3-dicarboxylic acid; cyclodecane; cyclodecylmethanediamine Traditional Name: [amino(cyclodecyl)methyl]amine; cyclodecane; isophthalic acid Formula: C39H70N2O4 MolecularWeight: 630.9841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCCCCC1.C1CCCCCCCCC1.C1CCCCC(CCCC1)C(N)N.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

C1CCCCCCCCC1.C1CCCCCCCCC1.C1CCCCC(CCCC1)C(N)N.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C11H24N2.2C10H20.C8H6O4/c12-11(13)10-8-6-4-2-1-3-5-7-9-10;2*1-2-4-6-8-10-9-7-5-3-1;9-7(10)5-2-1-3-6(4-5)8(11)12/h10-11H,1-9,12-13H2;2*1-10H2;1-4H,(H,9,10)(H,11,12)