3-[3-(2,5-dimethylphenyl)phenoxy]propanoate

Systemtic Name: 3-[3-(2,5-dimethylphenyl)phenoxy]propanoate Openeye Name: 3-[3-(2,5-dimethylphenyl)phenoxy]propanoate CAS Name: 3-[3-(2,5-dimethylphenyl)phenoxy]propanoate IUPAC Name: 3-[3-(2,5-dimethylphenyl)phenoxy]propanoate Traditional Name: 3-[3-(2,5-dimethylphenyl)phenoxy]propionate Formula: C17H17O3- MolecularWeight: 269.31508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O3/c1-12-6-7-13(2)16(10-12)14-4-3-5-15(11-14)20-9-8-17(18)19/h3-7,10-11H,8-9H2,1-2H3,(H,18,19)/p-1