(E)-3-deuterio-3-[2,5-dideuterio-3,4-bis(oxidanyl)phenyl]prop-2-enal

Systemtic Name: (E)-3-deuterio-3-[2,5-dideuterio-3,4-bis(oxidanyl)phenyl]prop-2-enal Openeye Name: (E)-3-deuterio-3-(2,5-dideuterio-3,4-dihydroxy-phenyl)prop-2-enal CAS Name: (E)-3-deuterio-3-(2,5-dideuterio-3,4-dihydroxyphenyl)-2-propenal IUPAC Name: (E)-3-deuterio-3-(2,5-dideuterio-3,4-dihydroxyphenyl)prop-2-enal Traditional Name: (E)-3-deuterio-3-(2,5-dideuterio-3,4-dihydroxy-phenyl)acrolein Formula: C9H8O3 MolecularWeight: 167.176505

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC=O)O)O

Isomeric SMILES

[2H]C1=CC(=C(C(=C1O)O)[2H])/C(=C/C=O)/[2H]

InChI

InChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+/i2D,4D,6D