3-[(2,3,6-trimethylphenoxy)methyl]benzoate

Systemtic Name: 3-[(2,3,6-trimethylphenoxy)methyl]benzoate Openeye Name: 3-[(2,3,6-trimethylphenoxy)methyl]benzoate CAS Name: 3-[(2,3,6-trimethylphenoxy)methyl]benzoate IUPAC Name: 3-[(2,3,6-trimethylphenoxy)methyl]benzoate Traditional Name: 3-[(2,3,6-trimethylphenoxy)methyl]benzoate Formula: C17H17O3- MolecularWeight: 269.31508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC2=CC=CC(=C2)C(=O)[O-])C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC2=CC=CC(=C2)C(=O)[O-])C

InChI

InChI=1S/C17H18O3/c1-11-7-8-12(2)16(13(11)3)20-10-14-5-4-6-15(9-14)17(18)19/h4-9H,10H2,1-3H3,(H,18,19)/p-1