(E)-3-[2,3-bis(oxidanyl)-4-pentyl-phenyl]prop-2-enal

Systemtic Name: (E)-3-[2,3-bis(oxidanyl)-4-pentyl-phenyl]prop-2-enal Openeye Name: (E)-3-(2,3-dihydroxy-4-pentyl-phenyl)prop-2-enal CAS Name: (E)-3-(2,3-dihydroxy-4-pentylphenyl)-2-propenal IUPAC Name: (E)-3-(2,3-dihydroxy-4-pentylphenyl)prop-2-enal Traditional Name: (E)-3-(4-amyl-2,3-dihydroxy-phenyl)acrolein Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)C=CC=O)O)O

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)/C=C/C=O)O)O

InChI

InChI=1S/C14H18O3/c1-2-3-4-6-11-8-9-12(7-5-10-15)14(17)13(11)16/h5,7-10,16-17H,2-4,6H2,1H3/b7-5+