dimethyl 5-(3-methyl-4-oxidanyl-but-1-ynyl)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(3-methyl-4-oxidanyl-but-1-ynyl)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(4-hydroxy-3-methyl-but-1-ynyl)benzene-1,3-dicarboxylate CAS Name: 5-(4-hydroxy-3-methylbut-1-ynyl)benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(4-hydroxy-3-methylbut-1-ynyl)benzene-1,3-dicarboxylate Traditional Name: 5-(4-hydroxy-3-methyl-but-1-ynyl)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C15H16O5 MolecularWeight: 276.28454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16O5/c1-10(9-16)4-5-11-6-12(14(17)19-2)8-13(7-11)15(18)20-3/h6-8,10,16H,9H2,1-3H3