2-butoxycarbonylbenzoate; propan-2-one

Systemtic Name: 2-butoxycarbonylbenzoate; propan-2-one Openeye Name: acetone; 2-butoxycarbonylbenzoate CAS Name: 2-[butoxy(oxo)methyl]benzoate; 2-propanone IUPAC Name: 2-butoxycarbonylbenzoate; propan-2-one Traditional Name: acetone; 2-butoxycarbonylbenzoate Formula: C15H19O5- MolecularWeight: 279.30836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C(=O)[O-].CC(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1C(=O)[O-].CC(=O)C

InChI

InChI=1S/C12H14O4.C3H6O/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14;1-3(2)4/h4-7H,2-3,8H2,1H3,(H,13,14);1-2H3/p-1