2-[(2S)-octan-2-yl]oxycarbonylbenzoate

Systemtic Name: 2-[(2S)-octan-2-yl]oxycarbonylbenzoate Openeye Name: 2-[(1S)-1-methylheptoxy]carbonylbenzoate CAS Name: 2-[[(2S)-octan-2-yl]oxy-oxomethyl]benzoate IUPAC Name: 2-[(2S)-octan-2-yl]oxycarbonylbenzoate Traditional Name: 2-[(1S)-1-methylheptoxy]carbonylbenzoate Formula: C16H21O4- MolecularWeight: 277.33554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CCCCCC[C@H](C)OC(=O)C1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C16H22O4/c1-3-4-5-6-9-12(2)20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18)/p-1/t12-/m0/s1