4-[[3-(4-bromanyl-2-methyl-phenyl)phenoxy]methyl]phthalate

Systemtic Name: 4-[[3-(4-bromanyl-2-methyl-phenyl)phenoxy]methyl]phthalate Openeye Name: 4-[[3-(4-bromo-2-methyl-phenyl)phenoxy]methyl]phthalate CAS Name: 4-[[3-(4-bromo-2-methylphenyl)phenoxy]methyl]phthalate IUPAC Name: 4-[[3-(4-bromo-2-methylphenyl)phenoxy]methyl]phthalate Traditional Name: 4-[[3-(4-bromo-2-methyl-phenyl)phenoxy]methyl]phthalate Formula: C22H15BrO5-2 MolecularWeight: 439.2555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C2=CC(=CC=C2)OCC3=CC(=C(C=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)C2=CC(=CC=C2)OCC3=CC(=C(C=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H17BrO5/c1-13-9-16(23)6-8-18(13)15-3-2-4-17(11-15)28-12-14-5-7-19(21(24)25)20(10-14)22(26)27/h2-11H,12H2,1H3,(H,24,25)(H,26,27)/p-2