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

Systemtic Name: 3-(2-ethylhexyl)-4-hexyl-phthalic acid Openeye Name: 3-(2-ethylhexyl)-4-hexyl-phthalic acid CAS Name: 3-(2-ethylhexyl)-4-hexylphthalic acid IUPAC Name: 3-(2-ethylhexyl)-4-hexylphthalic acid Traditional Name: 3-(2-ethylhexyl)-4-hexyl-phthalic acid Formula: C22H34O4 MolecularWeight: 362.50296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CC(CC)CCCC

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CC(CC)CCCC

InChI

InChI=1S/C22H34O4/c1-4-7-9-10-12-17-13-14-18(21(23)24)20(22(25)26)19(17)15-16(6-3)11-8-5-2/h13-14,16H,4-12,15H2,1-3H3,(H,23,24)(H,25,26)