4,5-dibutyl-3-dodecyl-phthalic acid

Systemtic Name: 4,5-dibutyl-3-dodecyl-phthalic acid Openeye Name: 4,5-dibutyl-3-dodecyl-phthalic acid CAS Name: 4,5-dibutyl-3-dodecylphthalic acid IUPAC Name: 4,5-dibutyl-3-dodecylphthalic acid Traditional Name: 4,5-dibutyl-3-lauryl-phthalic acid Formula: C28H46O4 MolecularWeight: 446.66244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=CC(=C1CCCC)CCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=CC(=C1CCCC)CCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C28H46O4/c1-4-7-10-11-12-13-14-15-16-17-20-24-23(19-9-6-3)22(18-8-5-2)21-25(27(29)30)26(24)28(31)32/h21H,4-20H2,1-3H3,(H,29,30)(H,31,32)