3-butoxy-4-butyl-phthalic acid

Systemtic Name: 3-butoxy-4-butyl-phthalic acid Openeye Name: 3-butoxy-4-butyl-phthalic acid CAS Name: 3-butoxy-4-butylphthalic acid IUPAC Name: 3-butoxy-4-butylphthalic acid Traditional Name: 3-butoxy-4-butyl-phthalic acid Formula: C16H22O5 MolecularWeight: 294.34288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)OCCCC

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)OCCCC

InChI

InChI=1S/C16H22O5/c1-3-5-7-11-8-9-12(15(17)18)13(16(19)20)14(11)21-10-6-4-2/h8-9H,3-7,10H2,1-2H3,(H,17,18)(H,19,20)