(6-methyl-6-oxidanyl-7-oxidanylidene-oct-4-ynyl) benzoate

Systemtic Name: (6-methyl-6-oxidanyl-7-oxidanylidene-oct-4-ynyl) benzoate Openeye Name: (6-hydroxy-6-methyl-7-oxo-oct-4-ynyl) benzoate CAS Name: benzoic acid (6-hydroxy-6-methyl-7-oxooct-4-ynyl) ester IUPAC Name: (6-hydroxy-6-methyl-7-oxooct-4-ynyl) benzoate Traditional Name: benzoic acid (6-hydroxy-7-keto-6-methyl-oct-4-ynyl) ester Formula: C16H18O4 MolecularWeight: 274.31172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C#CCCCOC(=O)C1=CC=CC=C1)O

Isomeric SMILES

CC(=O)C(C)(C#CCCCOC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C16H18O4/c1-13(17)16(2,19)11-7-4-8-12-20-15(18)14-9-5-3-6-10-14/h3,5-6,9-10,19H,4,8,12H2,1-2H3