3-(4-butoxy-3-methoxy-phenyl)pentanedioic acid

Systemtic Name: 3-(4-butoxy-3-methoxy-phenyl)pentanedioic acid Openeye Name: 3-(4-butoxy-3-methoxy-phenyl)pentanedioic acid CAS Name: 3-(4-butoxy-3-methoxyphenyl)pentanedioic acid IUPAC Name: 3-(4-butoxy-3-methoxyphenyl)pentanedioic acid Traditional Name: 3-(4-butoxy-3-methoxy-phenyl)glutaric acid Formula: C16H22O6 MolecularWeight: 310.34228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(CC(=O)O)CC(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(CC(=O)O)CC(=O)O)OC

InChI

InChI=1S/C16H22O6/c1-3-4-7-22-13-6-5-11(8-14(13)21-2)12(9-15(17)18)10-16(19)20/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,17,18)(H,19,20)