dibutyl 3-chloranylbenzene-1,2-dicarboxylate

Systemtic Name: dibutyl 3-chloranylbenzene-1,2-dicarboxylate Openeye Name: dibutyl 3-chlorobenzene-1,2-dicarboxylate CAS Name: 3-chlorobenzene-1,2-dicarboxylic acid dibutyl ester IUPAC Name: dibutyl 3-chlorobenzene-1,2-dicarboxylate Traditional Name: 3-chlorobenzene-1,2-dicarboxylic acid dibutyl ester Formula: C16H21ClO4 MolecularWeight: 312.78854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C(=CC=C1)Cl)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C1=C(C(=CC=C1)Cl)C(=O)OCCCC

InChI

InChI=1S/C16H21ClO4/c1-3-5-10-20-15(18)12-8-7-9-13(17)14(12)16(19)21-11-6-4-2/h7-9H,3-6,10-11H2,1-2H3