[(2R,3S)-3-(4-nitrophenyl)carbonyloxy-5-(phenylmethylsulfanyl)thiolan-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [(2R,3S)-3-(4-nitrophenyl)carbonyloxy-5-(phenylmethylsulfanyl)thiolan-2-yl]methyl 4-nitrobenzoate Openeye Name: [(2R,3S)-5-benzylsulfanyl-3-(4-nitrobenzoyl)oxy-tetrahydrothiophen-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R,3S)-3-[(4-nitrophenyl)-oxomethoxy]-5-(phenylmethylthio)-2-thiolanyl]methyl ester IUPAC Name: [(2R,3S)-5-benzylsulfanyl-3-(4-nitrobenzoyl)oxythiolan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2R,3S)-5-(benzylthio)-3-(4-nitrobenzoyl)oxy-tetrahydrothiophen-2-yl]methyl ester Formula: C26H22N2O8S2 MolecularWeight: 554.59148

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(SC1SCC2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H]([C@H](SC1SCC2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H22N2O8S2/c29-25(18-6-10-20(11-7-18)27(31)32)35-15-23-22(14-24(38-23)37-16-17-4-2-1-3-5-17)36-26(30)19-8-12-21(13-9-19)28(33)34/h1-13,22-24H,14-16H2/t22-,23+,24?/m0/s1