ethyl (Z,2S,3R)-2-(4-nitrophenyl)sulfonyloxy-3-oxidanyl-tridec-4-enoate

Systemtic Name: ethyl (Z,2S,3R)-2-(4-nitrophenyl)sulfonyloxy-3-oxidanyl-tridec-4-enoate Openeye Name: ethyl (Z,2S,3R)-3-hydroxy-2-(4-nitrophenyl)sulfonyloxy-tridec-4-enoate CAS Name: (Z,2S,3R)-3-hydroxy-2-(4-nitrophenyl)sulfonyloxy-4-tridecenoic acid ethyl ester IUPAC Name: ethyl (Z,2S,3R)-3-hydroxy-2-(4-nitrophenyl)sulfonyloxytridec-4-enoate Traditional Name: (Z,2S,3R)-3-hydroxy-2-nosyloxy-tridec-4-enoic acid ethyl ester Formula: C21H31NO8S MolecularWeight: 457.53774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC(C(C(=O)OCC)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCC/C=C\[C@H]([C@@H](C(=O)OCC)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C21H31NO8S/c1-3-5-6-7-8-9-10-11-12-19(23)20(21(24)29-4-2)30-31(27,28)18-15-13-17(14-16-18)22(25)26/h11-16,19-20,23H,3-10H2,1-2H3/b12-11-/t19-,20+/m1/s1