(4-methoxy-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl)methyl 4-nitrobenzoate

Systemtic Name: (4-methoxy-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl)methyl 4-nitrobenzoate Openeye Name: (4-methoxy-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (4-methoxy-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl)methyl ester IUPAC Name: (4-methoxy-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-methoxy-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl)methyl ester Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2C(S2)C(O1)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1C2C(S2)C(O1)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H13NO6S/c1-18-13-11-10(21-11)9(20-13)6-19-12(15)7-2-4-8(5-3-7)14(16)17/h2-5,9-11,13H,6H2,1H3