3-methyl-2-pent-1-ynyl-oct-4-ynoic acid

Systemtic Name: 3-methyl-2-pent-1-ynyl-oct-4-ynoic acid Openeye Name: 3-methyl-2-pent-1-ynyl-oct-4-ynoic acid CAS Name: 3-methyl-2-pent-1-ynyl-4-octynoic acid IUPAC Name: 3-methyl-2-pent-1-ynyloct-4-ynoic acid Traditional Name: 3-methyl-2-pent-1-ynyl-oct-4-ynoic acid Formula: C14H20O2 MolecularWeight: 220.3074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O2/c1-4-6-8-10-12(3)13(14(15)16)11-9-7-5-2/h12-13H,4-7H2,1-3H3,(H,15,16)