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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CC(CC)CCCC

Isomeric SMILES

CCCCCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CC(CC)CCCC

InChI

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