2,5,5-trimethyl-2-oxidanyl-hept-3-ynoic acid

Systemtic Name: 2,5,5-trimethyl-2-oxidanyl-hept-3-ynoic acid Openeye Name: 2-hydroxy-2,5,5-trimethyl-hept-3-ynoic acid CAS Name: 2-hydroxy-2,5,5-trimethyl-3-heptynoic acid IUPAC Name: 2-hydroxy-2,5,5-trimethylhept-3-ynoic acid Traditional Name: 2-hydroxy-2,5,5-trimethyl-hept-3-ynoic acid Formula: C10H16O3 MolecularWeight: 184.23224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16O3/c1-5-9(2,3)6-7-10(4,13)8(11)12/h13H,5H2,1-4H3,(H,11,12)