4-(1,1-diacetyloxyethoxycarbonyl)benzoate; methoxybenzene

Systemtic Name: 4-(1,1-diacetyloxyethoxycarbonyl)benzoate; methoxybenzene Openeye Name: anisole; 4-(1,1-diacetoxyethoxycarbonyl)benzoate CAS Name: 4-[1,1-diacetyloxyethoxy(oxo)methyl]benzoate; methoxybenzene IUPAC Name: anisole; 4-(1,1-diacetyloxyethoxycarbonyl)benzoate Traditional Name: anisole; 4-(1,1-diacetoxyethoxycarbonyl)benzoate Formula: C21H21O9- MolecularWeight: 417.38604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(OC(=O)C)OC(=O)C1=CC=C(C=C1)C(=O)[O-].COC1=CC=CC=C1

Isomeric SMILES

CC(=O)OC(C)(OC(=O)C)OC(=O)C1=CC=C(C=C1)C(=O)[O-].COC1=CC=CC=C1

InChI

InChI=1S/C14H14O8.C7H8O/c1-8(15)20-14(3,21-9(2)16)22-13(19)11-6-4-10(5-7-11)12(17)18;1-8-7-5-3-2-4-6-7/h4-7H,1-3H3,(H,17,18);2-6H,1H3/p-1