O1-butyl O2-(phenylmethyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate

Systemtic Name: O1-butyl O2-(phenylmethyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate Openeye Name: O2-benzyl O1-butyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate CAS Name: 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylic acid O1-butyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 1-O-butyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate Traditional Name: 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylic acid O2-benzyl ester O1-butyl ester Formula: C19H20O4 MolecularWeight: 316.384347

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCCC)C(=O)OCC2=CC=CC=C2)[2H])[2H]

InChI

InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3/i7D,8D,11D,12D