3-(3-methyl-3-oxidanyl-but-1-ynyl)benzaldehyde

Systemtic Name: 3-(3-methyl-3-oxidanyl-but-1-ynyl)benzaldehyde Openeye Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)benzaldehyde CAS Name: 3-(3-hydroxy-3-methylbut-1-ynyl)benzaldehyde IUPAC Name: 3-(3-hydroxy-3-methylbut-1-ynyl)benzaldehyde Traditional Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)benzaldehyde Formula: C12H12O2 MolecularWeight: 188.22248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O2/c1-12(2,14)7-6-10-4-3-5-11(8-10)9-13/h3-5,8-9,14H,1-2H3