methyl 4-prop-1-ynylbenzoate

Systemtic Name: methyl 4-prop-1-ynylbenzoate Openeye Name: methyl 4-prop-1-ynylbenzoate CAS Name: 4-prop-1-ynylbenzoic acid methyl ester IUPAC Name: methyl 4-prop-1-ynylbenzoate Traditional Name: 4-prop-1-ynylbenzoic acid methyl ester Formula: C11H10O2 MolecularWeight: 174.1959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10O2/c1-3-4-9-5-7-10(8-6-9)11(12)13-2/h5-8H,1-2H3