8-oxidanylidene-8-[(2,3,4,5,6-pentadeuteriophenyl)amino]octanoic acid

Systemtic Name: 8-oxidanylidene-8-[(2,3,4,5,6-pentadeuteriophenyl)amino]octanoic acid Openeye Name: 8-oxo-8-(2,3,4,5,6-pentadeuterioanilino)octanoic acid CAS Name: 8-oxo-8-(2,3,4,5,6-pentadeuterioanilino)octanoic acid IUPAC Name: 8-oxo-8-(2,3,4,5,6-pentadeuterioanilino)octanoic acid Traditional Name: 8-keto-8-(2,3,4,5,6-pentadeuterioanilino)caprylic acid Formula: C14H19NO3 MolecularWeight: 254.336369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)O

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])NC(=O)CCCCCCC(=O)O)[2H])[2H]

InChI

InChI=1S/C14H19NO3/c16-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(17)18/h3-5,8-9H,1-2,6-7,10-11H2,(H,15,16)(H,17,18)/i3D,4D,5D,8D,9D