bis(2-ethylhexyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate

Systemtic Name: bis(2-ethylhexyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate Openeye Name: bis(2-ethylhexyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate CAS Name: 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylic acid bis(2-ethylhexyl) ester IUPAC Name: bis(2-ethylhexyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate Traditional Name: 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylic acid bis(2-ethylhexyl) ester Formula: C24H38O4 MolecularWeight: 394.580767

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC)[2H])[2H]

InChI

InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/i11D,12D,15D,16D