(5-methoxy-3-oxidanyl-4-thiocyanato-oxolan-2-yl)methyl 4-nitrobenzoate

Systemtic Name: (5-methoxy-3-oxidanyl-4-thiocyanato-oxolan-2-yl)methyl 4-nitrobenzoate Openeye Name: (3-hydroxy-5-methoxy-4-thiocyanato-tetrahydrofuran-2-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3-hydroxy-5-methoxy-4-thiocyanato-2-oxolanyl)methyl ester IUPAC Name: (3-hydroxy-5-methoxy-4-thiocyanatooxolan-2-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3-hydroxy-5-methoxy-4-thiocyanato-tetrahydrofuran-2-yl)methyl ester Formula: C14H14N2O7S MolecularWeight: 354.33516

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O)SC#N

Isomeric SMILES

COC1C(C(C(O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O)SC#N

InChI

InChI=1S/C14H14N2O7S/c1-21-14-12(24-7-15)11(17)10(23-14)6-22-13(18)8-2-4-9(5-3-8)16(19)20/h2-5,10-12,14,17H,6H2,1H3