methyl 3-(4-prop-1-ynylphenyl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate

Systemtic Name: methyl 3-(4-prop-1-ynylphenyl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl 3-(4-prop-1-ynylphenyl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: 3-(4-prop-1-ynylphenyl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-prop-1-ynylphenyl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: 3-(4-prop-1-ynylphenyl)-8-oxabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C18H18O3 MolecularWeight: 282.33372

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC=C(C=C1)C2=C(C3CCC(C2)O3)C(=O)OC

Isomeric SMILES

CC#CC1=CC=C(C=C1)C2=C(C3CCC(C2)O3)C(=O)OC

InChI

InChI=1S/C18H18O3/c1-3-4-12-5-7-13(8-6-12)15-11-14-9-10-16(21-14)17(15)18(19)20-2/h5-8,14,16H,9-11H2,1-2H3