2-butyl-5-methoxy-benzene-1,3-dicarboxylic acid

Systemtic Name: 2-butyl-5-methoxy-benzene-1,3-dicarboxylic acid Openeye Name: 2-butyl-5-methoxy-benzene-1,3-dicarboxylic acid CAS Name: 2-butyl-5-methoxybenzene-1,3-dicarboxylic acid IUPAC Name: 2-butyl-5-methoxybenzene-1,3-dicarboxylic acid Traditional Name: 2-butyl-5-methoxy-isophthalic acid Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1C(=O)O)OC)C(=O)O

Isomeric SMILES

CCCCC1=C(C=C(C=C1C(=O)O)OC)C(=O)O

InChI

InChI=1S/C13H16O5/c1-3-4-5-9-10(12(14)15)6-8(18-2)7-11(9)13(16)17/h6-7H,3-5H2,1-2H3,(H,14,15)(H,16,17)