1-(4-tert-butylphenyl)-3-chloranyl-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-one

Systemtic Name: 1-(4-tert-butylphenyl)-3-chloranyl-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-one Openeye Name: 1-(4-tert-butylphenyl)-3-chloro-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-one CAS Name: 1-(4-tert-butylphenyl)-3-chloro-3-(2,3,4,5,6-pentadeuteriophenyl)-1-propanone IUPAC Name: 1-(4-tert-butylphenyl)-3-chloro-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-one Traditional Name: 1-(4-tert-butylphenyl)-3-chloro-3-(2,3,4,5,6-pentadeuteriophenyl)propan-1-one Formula: C19H21ClO MolecularWeight: 305.853249

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2)Cl

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C(CC(=O)C2=CC=C(C=C2)C(C)(C)C)Cl)[2H])[2H]

InChI

InChI=1S/C19H21ClO/c1-19(2,3)16-11-9-15(10-12-16)18(21)13-17(20)14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3/i4D,5D,6D,7D,8D