O1-butyl O2-tert-butyl 3-chloranylbenzene-1,2-dicarboxylate

Systemtic Name: O1-butyl O2-tert-butyl 3-chloranylbenzene-1,2-dicarboxylate Openeye Name: O1-butyl O2-tert-butyl 3-chlorobenzene-1,2-dicarboxylate CAS Name: 3-chlorobenzene-1,2-dicarboxylic acid O1-butyl ester O2-tert-butyl ester IUPAC Name: 1-O-butyl 2-O-tert-butyl 3-chlorobenzene-1,2-dicarboxylate Traditional Name: 3-chlorobenzene-1,2-dicarboxylic acid O1-butyl ester O2-tert-butyl ester Formula: C16H21ClO4 MolecularWeight: 312.78854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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