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

Systemtic Name: 4-(2-ethylhexyl)-3-heptyl-phthalic acid Openeye Name: 4-(2-ethylhexyl)-3-heptyl-phthalic acid CAS Name: 4-(2-ethylhexyl)-3-heptylphthalic acid IUPAC Name: 4-(2-ethylhexyl)-3-heptylphthalic acid Traditional Name: 4-(2-ethylhexyl)-3-heptyl-phthalic acid Formula: C23H36O4 MolecularWeight: 376.52954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=CC(=C1C(=O)O)C(=O)O)CC(CC)CCCC

Isomeric SMILES

CCCCCCCC1=C(C=CC(=C1C(=O)O)C(=O)O)CC(CC)CCCC

InChI

InChI=1S/C23H36O4/c1-4-7-9-10-11-13-19-18(16-17(6-3)12-8-5-2)14-15-20(22(24)25)21(19)23(26)27/h14-15,17H,4-13,16H2,1-3H3,(H,24,25)(H,26,27)