4-(2-ethylhexyl)-3-pentyl-phthalic acid

Systemtic Name: 4-(2-ethylhexyl)-3-pentyl-phthalic acid Openeye Name: 4-(2-ethylhexyl)-3-pentyl-phthalic acid CAS Name: 4-(2-ethylhexyl)-3-pentylphthalic acid IUPAC Name: 4-(2-ethylhexyl)-3-pentylphthalic acid Traditional Name: 3-amyl-4-(2-ethylhexyl)phthalic acid Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1C(=O)O)C(=O)O)CC(CC)CCCC

Isomeric SMILES

CCCCCC1=C(C=CC(=C1C(=O)O)C(=O)O)CC(CC)CCCC

InChI

InChI=1S/C21H32O4/c1-4-7-9-11-17-16(14-15(6-3)10-8-5-2)12-13-18(20(22)23)19(17)21(24)25/h12-13,15H,4-11,14H2,1-3H3,(H,22,23)(H,24,25)