O1-hexyl O2-(4-nitrophenyl) benzene-1,2-dicarboxylate

Systemtic Name: O1-hexyl O2-(4-nitrophenyl) benzene-1,2-dicarboxylate Openeye Name: O1-hexyl O2-(4-nitrophenyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-hexyl ester O2-(4-nitrophenyl) ester IUPAC Name: 1-O-hexyl 2-O-(4-nitrophenyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-hexyl ester O2-(4-nitrophenyl) ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC(=O)C1=CC=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO6/c1-2-3-4-7-14-26-19(22)17-8-5-6-9-18(17)20(23)27-16-12-10-15(11-13-16)21(24)25/h5-6,8-13H,2-4,7,14H2,1H3