3-[(E)-but-2-enyl]-2,2,4-trimethyl-nonanoic acid

Systemtic Name: 3-[(E)-but-2-enyl]-2,2,4-trimethyl-nonanoic acid Openeye Name: 3-[(E)-but-2-enyl]-2,2,4-trimethyl-nonanoic acid CAS Name: 3-[(E)-but-2-enyl]-2,2,4-trimethylnonanoic acid IUPAC Name: 3-[(E)-but-2-enyl]-2,2,4-trimethylnonanoic acid Traditional Name: (E)-2,2-dimethyl-3-(1-methylhexyl)hept-5-enoic acid Formula: C16H30O2 MolecularWeight: 254.4082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(CC=CC)C(C)(C)C(=O)O

Isomeric SMILES

CCCCCC(C)C(C/C=C/C)C(C)(C)C(=O)O

InChI

InChI=1S/C16H30O2/c1-6-8-10-11-13(3)14(12-9-7-2)16(4,5)15(17)18/h7,9,13-14H,6,8,10-12H2,1-5H3,(H,17,18)/b9-7+