3-[[2-(2-ethylhexyl)phenyl]methyl]phthalate

Systemtic Name: 3-[[2-(2-ethylhexyl)phenyl]methyl]phthalate Openeye Name: 3-[[2-(2-ethylhexyl)phenyl]methyl]phthalate CAS Name: 3-[[2-(2-ethylhexyl)phenyl]methyl]phthalate IUPAC Name: 3-[[2-(2-ethylhexyl)phenyl]methyl]phthalate Traditional Name: 3-[2-(2-ethylhexyl)benzyl]phthalate Formula: C23H26O4-2 MolecularWeight: 366.45014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=CC=CC=C1CC2=CC=CC(=C2C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC(CC)CC1=CC=CC=C1CC2=CC=CC(=C2C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C23H28O4/c1-3-5-9-16(4-2)14-17-10-6-7-11-18(17)15-19-12-8-13-20(22(24)25)21(19)23(26)27/h6-8,10-13,16H,3-5,9,14-15H2,1-2H3,(H,24,25)(H,26,27)/p-2