(4-nitrophenyl)methyl 2-chloranyl-5-oxidanylidene-3-phenylsulfanyl-oxolane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-chloranyl-5-oxidanylidene-3-phenylsulfanyl-oxolane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-chloro-5-oxo-3-phenylsulfanyl-tetrahydrofuran-2-carboxylate CAS Name: 2-chloro-5-oxo-3-(phenylthio)-2-oxolanecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-chloro-5-oxo-3-phenylsulfanyloxolane-2-carboxylate Traditional Name: 2-chloro-5-keto-3-(phenylthio)tetrahydrofuran-2-carboxylic acid (4-nitrobenzyl) ester Formula: C18H14ClNO6S MolecularWeight: 407.82486

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1=O)(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl)SC3=CC=CC=C3

Isomeric SMILES

C1C(C(OC1=O)(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl)SC3=CC=CC=C3

InChI

InChI=1S/C18H14ClNO6S/c19-18(15(10-16(21)26-18)27-14-4-2-1-3-5-14)17(22)25-11-12-6-8-13(9-7-12)20(23)24/h1-9,15H,10-11H2