4-butyl-3-methyl-phthalic acid

Systemtic Name: 4-butyl-3-methyl-phthalic acid Openeye Name: 4-butyl-3-methyl-phthalic acid CAS Name: 4-butyl-3-methylphthalic acid IUPAC Name: 4-butyl-3-methylphthalic acid Traditional Name: 4-butyl-3-methyl-phthalic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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