2,4-bis(2,3,4,5,6-pentadeuteriophenyl)pentan-3-one

Systemtic Name: 2,4-bis(2,3,4,5,6-pentadeuteriophenyl)pentan-3-one Openeye Name: 2,4-bis(2,3,4,5,6-pentadeuteriophenyl)pentan-3-one CAS Name: 2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-3-pentanone IUPAC Name: 2,4-bis(2,3,4,5,6-pentadeuteriophenyl)pentan-3-one Traditional Name: 2,4-bis(2,3,4,5,6-pentadeuteriophenyl)pentan-3-one Formula: C17H18O MolecularWeight: 248.385838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O/c1-13(15-9-5-3-6-10-15)17(18)14(2)16-11-7-4-8-12-16/h3-14H,1-2H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,12D