4-(3-methyl-3-oxidanyl-but-1-ynyl)benzaldehyde

Systemtic Name: 4-(3-methyl-3-oxidanyl-but-1-ynyl)benzaldehyde Openeye Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)benzaldehyde CAS Name: 4-(3-hydroxy-3-methylbut-1-ynyl)benzaldehyde IUPAC Name: 4-(3-hydroxy-3-methylbut-1-ynyl)benzaldehyde Traditional Name: 4-(3-hydroxy-3-methyl-but-1-ynyl)benzaldehyde Formula: C12H12O2 MolecularWeight: 189.215135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)[13CH]=O)O

InChI

InChI=1S/C12H12O2/c1-12(2,14)8-7-10-3-5-11(9-13)6-4-10/h3-6,9,14H,1-2H3/i9+1