2-[[3,4-bis(oxidanyl)phenyl]methyl]-3-methyl-butanal

Systemtic Name: 2-[[3,4-bis(oxidanyl)phenyl]methyl]-3-methyl-butanal Openeye Name: 2-[(3,4-dihydroxyphenyl)methyl]-3-methyl-butanal CAS Name: 2-[(3,4-dihydroxyphenyl)methyl]-3-methylbutanal IUPAC Name: 2-[(3,4-dihydroxyphenyl)methyl]-3-methylbutanal Traditional Name: 3-methyl-2-protocatechuyl-butyraldehyde Formula: C12H16O3 MolecularWeight: 208.25364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O3/c1-8(2)10(7-13)5-9-3-4-11(14)12(15)6-9/h3-4,6-8,10,14-15H,5H2,1-2H3