3-cyanoheptane-1,3,5,7-tetracarboxylic acid

Systemtic Name: 3-cyanoheptane-1,3,5,7-tetracarboxylic acid Openeye Name: 3-cyanoheptane-1,3,5,7-tetracarboxylic acid CAS Name: 3-cyanoheptane-1,3,5,7-tetracarboxylic acid IUPAC Name: 3-cyanoheptane-1,3,5,7-tetracarboxylic acid Traditional Name: 3-cyanoheptane-1,3,5,7-tetracarboxylic acid Formula: C12H15NO8 MolecularWeight: 301.2494

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)C(CC(CCC(=O)O)(C#N)C(=O)O)C(=O)O

Isomeric SMILES

C(CC(=O)O)C(CC(CCC(=O)O)(C#N)C(=O)O)C(=O)O

InChI

InChI=1S/C12H15NO8/c13-6-12(11(20)21,4-3-9(16)17)5-7(10(18)19)1-2-8(14)15/h7H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)