4-butyl-4-oxidanyl-oct-2-ynoic acid

Systemtic Name: 4-butyl-4-oxidanyl-oct-2-ynoic acid Openeye Name: 4-butyl-4-hydroxy-oct-2-ynoic acid CAS Name: 4-butyl-4-hydroxy-2-octynoic acid IUPAC Name: 4-butyl-4-hydroxyoct-2-ynoic acid Traditional Name: 4-butyl-4-hydroxy-oct-2-ynoic acid Formula: C12H20O3 MolecularWeight: 212.2854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O3/c1-3-5-8-12(15,9-6-4-2)10-7-11(13)14/h15H,3-6,8-9H2,1-2H3,(H,13,14)