methyl 3-methoxy-4-oxidanyl-2-pent-1-ynyl-benzoate

Systemtic Name: methyl 3-methoxy-4-oxidanyl-2-pent-1-ynyl-benzoate Openeye Name: methyl 4-hydroxy-3-methoxy-2-pent-1-ynyl-benzoate CAS Name: 4-hydroxy-3-methoxy-2-pent-1-ynylbenzoic acid methyl ester IUPAC Name: methyl 4-hydroxy-3-methoxy-2-pent-1-ynylbenzoate Traditional Name: 4-hydroxy-3-methoxy-2-pent-1-ynyl-benzoic acid methyl ester Formula: C14H16O4 MolecularWeight: 248.27444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=C(C=CC(=C1OC)O)C(=O)OC

Isomeric SMILES

CCCC#CC1=C(C=CC(=C1OC)O)C(=O)OC

InChI

InChI=1S/C14H16O4/c1-4-5-6-7-10-11(14(16)18-3)8-9-12(15)13(10)17-2/h8-9,15H,4-5H2,1-3H3