2-butyl-5-methyl-benzene-1,3-dicarboxylate

Systemtic Name: 2-butyl-5-methyl-benzene-1,3-dicarboxylate Openeye Name: 2-butyl-5-methyl-benzene-1,3-dicarboxylate CAS Name: 2-butyl-5-methylbenzene-1,3-dicarboxylate IUPAC Name: 2-butyl-5-methylbenzene-1,3-dicarboxylate Traditional Name: 2-butyl-5-methyl-isophthalate Formula: C13H14O4-2 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1C(=O)[O-])C)C(=O)[O-]

Isomeric SMILES

CCCCC1=C(C=C(C=C1C(=O)[O-])C)C(=O)[O-]

InChI

InChI=1S/C13H16O4/c1-3-4-5-9-10(12(14)15)6-8(2)7-11(9)13(16)17/h6-7H,3-5H2,1-2H3,(H,14,15)(H,16,17)/p-2