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

Systemtic Name: dihexyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate Openeye Name: dihexyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate CAS Name: 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylic acid dihexyl ester IUPAC Name: dihexyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate Traditional Name: 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylic acid dihexyl ester Formula: C20H30O4 MolecularWeight: 338.474447

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3/i9D,10D,13D,14D