4-(2-ethyl-2-methyl-1-oxidanyl-but-3-ynyl)benzaldehyde

Systemtic Name: 4-(2-ethyl-2-methyl-1-oxidanyl-but-3-ynyl)benzaldehyde Openeye Name: 4-(2-ethyl-1-hydroxy-2-methyl-but-3-ynyl)benzaldehyde CAS Name: 4-(2-ethyl-1-hydroxy-2-methylbut-3-ynyl)benzaldehyde IUPAC Name: 4-(2-ethyl-1-hydroxy-2-methylbut-3-ynyl)benzaldehyde Traditional Name: 4-(2-ethyl-1-hydroxy-2-methyl-but-3-ynyl)benzaldehyde Formula: C14H16O2 MolecularWeight: 216.27564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O2/c1-4-14(3,5-2)13(16)12-8-6-11(10-15)7-9-12/h1,6-10,13,16H,5H2,2-3H3