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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1=O)(C(=O)OSC2=CC=CC=C2)Cl)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(C(OC1=O)(C(=O)OSC2=CC=CC=C2)Cl)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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