3-[6-methyl-1,6-bis(oxidanyl)cyclohexa-2,4-dien-1-yl]propanal

Systemtic Name: 3-[6-methyl-1,6-bis(oxidanyl)cyclohexa-2,4-dien-1-yl]propanal Openeye Name: 3-(1,6-dihydroxy-6-methyl-cyclohexa-2,4-dien-1-yl)propanal CAS Name: 3-(1,6-dihydroxy-6-methyl-1-cyclohexa-2,4-dienyl)propanal IUPAC Name: 3-(1,6-dihydroxy-6-methylcyclohexa-2,4-dien-1-yl)propanal Traditional Name: 3-(1,6-dihydroxy-6-methyl-cyclohexa-2,4-dien-1-yl)propionaldehyde Formula: C10H14O3 MolecularWeight: 182.21636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC=CC1(CCC=O)O)O

Isomeric SMILES

CC1(C=CC=CC1(CCC=O)O)O

InChI

InChI=1S/C10H14O3/c1-9(12)5-2-3-6-10(9,13)7-4-8-11/h2-3,5-6,8,12-13H,4,7H2,1H3