4-(2-ethylhexyl)-3-heptyl-phthalate

Systemtic Name: 4-(2-ethylhexyl)-3-heptyl-phthalate Openeye Name: 4-(2-ethylhexyl)-3-heptyl-phthalate CAS Name: 4-(2-ethylhexyl)-3-heptylphthalate IUPAC Name: 4-(2-ethylhexyl)-3-heptylphthalate Traditional Name: 4-(2-ethylhexyl)-3-heptyl-phthalate Formula: C23H34O4-2 MolecularWeight: 374.51366

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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)/p-2