4-(3-methyl-3-oxidanyl-but-1-ynyl)benzoic acid

Systemtic Name: 4-(3-methyl-3-oxidanyl-but-1-ynyl)benzoic acid Openeye Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)benzoic acid CAS Name: 4-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid IUPAC Name: 4-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid Traditional Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)benzoic acid Formula: C12H12O3 MolecularWeight: 204.22188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)O)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)O)O

InChI

InChI=1S/C12H12O3/c1-12(2,15)8-7-9-3-5-10(6-4-9)11(13)14/h3-6,15H,1-2H3,(H,13,14)