2,3-dicyanoterephthalic acid; 4-ethyloctane

Systemtic Name: 2,3-dicyanoterephthalic acid; 4-ethyloctane Openeye Name: 2,3-dicyanoterephthalic acid; 4-ethyloctane CAS Name: 2,3-dicyanoterephthalic acid; 4-ethyloctane IUPAC Name: 2,3-dicyanoterephthalic acid; 4-ethyloctane Traditional Name: 2,3-dicyanoterephthalic acid; 4-ethyloctane Formula: C20H26N2O4 MolecularWeight: 358.43144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CCC.C1=CC(=C(C(=C1C(=O)O)C#N)C#N)C(=O)O

Isomeric SMILES

CCCCC(CC)CCC.C1=CC(=C(C(=C1C(=O)O)C#N)C#N)C(=O)O

InChI

InChI=1S/C10H4N2O4.C10H22/c11-3-7-5(9(13)14)1-2-6(10(15)16)8(7)4-12;1-4-7-9-10(6-3)8-5-2/h1-2H,(H,13,14)(H,15,16);10H,4-9H2,1-3H3