(E)-3-(2-heptylphenyl)-1-[4-(3-methylbut-2-enoxy)-2-oxidanyl-phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(2-heptylphenyl)-1-[4-(3-methylbut-2-enoxy)-2-oxidanyl-phenyl]prop-2-en-1-one Openeye Name: (E)-3-(2-heptylphenyl)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-one CAS Name: (E)-3-(2-heptylphenyl)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(2-heptylphenyl)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(2-heptylphenyl)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-one Formula: C27H34O3 MolecularWeight: 406.55706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC=C1C=CC(=O)C2=C(C=C(C=C2)OCC=C(C)C)O

Isomeric SMILES

CCCCCCCC1=CC=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)OCC=C(C)C)O

InChI

InChI=1S/C27H34O3/c1-4-5-6-7-8-11-22-12-9-10-13-23(22)14-17-26(28)25-16-15-24(20-27(25)29)30-19-18-21(2)3/h9-10,12-18,20,29H,4-8,11,19H2,1-3H3/b17-14+