[(2S,6S)-6-methyl-5-oxidanylidene-6-[4-(phenylsulfonyl)phenyl]-2H-pyran-2-yl] 4-nitrobenzoate

Systemtic Name: [(2S,6S)-6-methyl-5-oxidanylidene-6-[4-(phenylsulfonyl)phenyl]-2H-pyran-2-yl] 4-nitrobenzoate Openeye Name: [(2S,6S)-6-[4-(benzenesulfonyl)phenyl]-6-methyl-5-oxo-2H-pyran-2-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,6S)-6-[4-(benzenesulfonyl)phenyl]-6-methyl-5-oxo-2H-pyran-2-yl] ester IUPAC Name: [(2S,6S)-6-[4-(benzenesulfonyl)phenyl]-6-methyl-5-oxo-2H-pyran-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,6S)-6-(4-besylphenyl)-5-keto-6-methyl-2H-pyran-2-yl] ester Formula: C25H19NO8S MolecularWeight: 493.48526

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=CC(O1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@]1(C(=O)C=C[C@@H](O1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H19NO8S/c1-25(18-9-13-21(14-10-18)35(31,32)20-5-3-2-4-6-20)22(27)15-16-23(34-25)33-24(28)17-7-11-19(12-8-17)26(29)30/h2-16,23H,1H3/t23-,25+/m1/s1