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

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

Systemtic Name:dioctyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Openeye Name:dioctyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
CAS Name:3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylic acid dioctyl ester
IUPAC Name:dioctyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Traditional Name:3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylic acid dioctyl ester
Formula: C24H38O4
MolecularWeight: 394.580767
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC


Isomeric SMILES

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


InChI

InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3/i13D,14D,17D,18D


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