2-cyano-2-(2-methylhexan-3-yl)butanedioic acid

Systemtic Name: 2-cyano-2-(2-methylhexan-3-yl)butanedioic acid Openeye Name: 2-cyano-2-(1-isopropylbutyl)butanedioic acid CAS Name: 2-cyano-2-(2-methylhexan-3-yl)butanedioic acid IUPAC Name: 2-cyano-2-(2-methylhexan-3-yl)butanedioic acid Traditional Name: 2-cyano-2-(1-isopropylbutyl)succinic acid Formula: C12H19NO4 MolecularWeight: 241.28356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO4/c1-4-5-9(8(2)3)12(7-13,11(16)17)6-10(14)15/h8-9H,4-6H2,1-3H3,(H,14,15)(H,16,17)