(E)-3-(5-chloranyl-2-oxidanyl-phenyl)-2-methyl-prop-2-enal

Systemtic Name: (E)-3-(5-chloranyl-2-oxidanyl-phenyl)-2-methyl-prop-2-enal Openeye Name: (E)-3-(5-chloro-2-hydroxy-phenyl)-2-methyl-prop-2-enal CAS Name: (E)-3-(5-chloro-2-hydroxyphenyl)-2-methyl-2-propenal IUPAC Name: (E)-3-(5-chloro-2-hydroxyphenyl)-2-methylprop-2-enal Traditional Name: (E)-3-(5-chloro-2-hydroxy-phenyl)-2-methyl-acrolein Formula: C10H9ClO2 MolecularWeight: 196.63026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\C1=C(C=CC(=C1)Cl)O)/C=O

InChI

InChI=1S/C10H9ClO2/c1-7(6-12)4-8-5-9(11)2-3-10(8)13/h2-6,13H,1H3/b7-4+