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

Systemtic Name: dicyclohexyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate Openeye Name: dicyclohexyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate CAS Name: 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylic acid dicyclohexyl ester IUPAC Name: dicyclohexyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate Traditional Name: 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylic acid dicyclohexyl ester Formula: C20H26O4 MolecularWeight: 334.442687

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])C(=O)OC2CCCCC2)C(=O)OC3CCCCC3)[2H])[2H]

InChI

InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2/i7D,8D,13D,14D