4-chloranyl-1-(2,3,4,5,6-pentadeuteriophenyl)butan-1-one

Systemtic Name: 4-chloranyl-1-(2,3,4,5,6-pentadeuteriophenyl)butan-1-one Openeye Name: 4-chloro-1-(2,3,4,5,6-pentadeuteriophenyl)butan-1-one CAS Name: 4-chloro-1-(2,3,4,5,6-pentadeuteriophenyl)-1-butanone IUPAC Name: 4-chloro-1-(2,3,4,5,6-pentadeuteriophenyl)butan-1-one Traditional Name: 4-chloro-1-(2,3,4,5,6-pentadeuteriophenyl)butan-1-one Formula: C10H11ClO MolecularWeight: 187.677549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCCl

Isomeric SMILES

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

InChI

InChI=1S/C10H11ClO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2/i1D,2D,3D,5D,6D