(E)-1-(1-adamantyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(1-adamantyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-(3,4-dichlorophenyl)-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one Formula: C19H20Cl2O MolecularWeight: 335.2675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C=CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)/C=C/C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H20Cl2O/c20-16-3-1-12(8-17(16)21)2-4-18(22)19-9-13-5-14(10-19)7-15(6-13)11-19/h1-4,8,13-15H,5-7,9-11H2/b4-2+