4-[[3-(2-methyl-4-propanoyl-phenyl)phenyl]methoxy]phthalate

Systemtic Name: 4-[[3-(2-methyl-4-propanoyl-phenyl)phenyl]methoxy]phthalate Openeye Name: 4-[[3-(2-methyl-4-propanoyl-phenyl)phenyl]methoxy]phthalate CAS Name: 4-[[3-[2-methyl-4-(1-oxopropyl)phenyl]phenyl]methoxy]phthalate IUPAC Name: 4-[[3-(2-methyl-4-propanoylphenyl)phenyl]methoxy]phthalate Traditional Name: 4-[3-(2-methyl-4-propionyl-phenyl)benzyl]oxyphthalate Formula: C25H20O6-2 MolecularWeight: 416.4227

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1)C2=CC(=CC=C2)COC3=CC(=C(C=C3)C(=O)[O-])C(=O)[O-])C

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)C2=CC(=CC=C2)COC3=CC(=C(C=C3)C(=O)[O-])C(=O)[O-])C

InChI

InChI=1S/C25H22O6/c1-3-23(26)18-7-9-20(15(2)11-18)17-6-4-5-16(12-17)14-31-19-8-10-21(24(27)28)22(13-19)25(29)30/h4-13H,3,14H2,1-2H3,(H,27,28)(H,29,30)/p-2