3-butoxycarbonylbenzoate

Systemtic Name: 3-butoxycarbonylbenzoate Openeye Name: 3-butoxycarbonylbenzoate CAS Name: 3-[butoxy(oxo)methyl]benzoate IUPAC Name: 3-butoxycarbonylbenzoate Traditional Name: 3-butoxycarbonylbenzoate Formula: C12H13O4- MolecularWeight: 221.22922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC(=C1)C(=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=CC(=C1)C(=O)[O-]

InChI

InChI=1S/C12H14O4/c1-2-3-7-16-12(15)10-6-4-5-9(8-10)11(13)14/h4-6,8H,2-3,7H2,1H3,(H,13,14)/p-1