but-3-ynyl 4-methylbenzoate

Systemtic Name: but-3-ynyl 4-methylbenzoate Openeye Name: but-3-ynyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid but-3-ynyl ester IUPAC Name: but-3-ynyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid but-3-ynyl ester Formula: C12H12O2 MolecularWeight: 188.22248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCCC#C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCCC#C

InChI

InChI=1S/C12H12O2/c1-3-4-9-14-12(13)11-7-5-10(2)6-8-11/h1,5-8H,4,9H2,2H3