3-(2,5-dimethylphenyl)prop-2-ynoate

Systemtic Name: 3-(2,5-dimethylphenyl)prop-2-ynoate Openeye Name: 3-(2,5-dimethylphenyl)prop-2-ynoate CAS Name: 3-(2,5-dimethylphenyl)-2-propynoate IUPAC Name: 3-(2,5-dimethylphenyl)prop-2-ynoate Traditional Name: 3-(2,5-dimethylphenyl)propiolate Formula: C11H9O2- MolecularWeight: 173.18796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C#CC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C#CC(=O)[O-]

InChI

InChI=1S/C11H10O2/c1-8-3-4-9(2)10(7-8)5-6-11(12)13/h3-4,7H,1-2H3,(H,12,13)/p-1