O3-butyl O1-methyl benzene-1,3-dicarboxylate

Systemtic Name: O3-butyl O1-methyl benzene-1,3-dicarboxylate Openeye Name: O3-butyl O1-methyl benzene-1,3-dicarboxylate CAS Name: benzene-1,3-dicarboxylic acid O3-butyl ester O1-methyl ester IUPAC Name: 3-O-butyl 1-O-methyl benzene-1,3-dicarboxylate Traditional Name: benzene-1,3-dicarboxylic acid O3-butyl ester O1-methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-3-4-8-17-13(15)11-7-5-6-10(9-11)12(14)16-2/h5-7,9H,3-4,8H2,1-2H3