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

Systemtic Name: 4-methoxy-3-(3-methyl-3-oxidanyl-but-1-ynyl)benzaldehyde Openeye Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)-4-methoxy-benzaldehyde CAS Name: 3-(3-hydroxy-3-methylbut-1-ynyl)-4-methoxybenzaldehyde IUPAC Name: 3-(3-hydroxy-3-methylbut-1-ynyl)-4-methoxybenzaldehyde Traditional Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)-4-methoxy-benzaldehyde Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3/c1-13(2,15)7-6-11-8-10(9-14)4-5-12(11)16-3/h4-5,8-9,15H,1-3H3