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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1C(=O)O)C(=O)O)CC(CC)CCCC

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1C(=O)O)C(=O)O)CC(CC)CCCC

InChI

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