dibutyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate

Systemtic Name: dibutyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate Openeye Name: dibutyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate CAS Name: 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylic acid dibutyl ester IUPAC Name: dibutyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate Traditional Name: 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylic acid dibutyl ester Formula: C16H22O4 MolecularWeight: 282.368127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3/i7D,8D,9D,10D