(4-nitrophenyl) (1R,3S)-3-(1,3-dithian-2-yl)-2,2-dimethyl-cyclopropane-1-carboxylate

Systemtic Name: (4-nitrophenyl) (1R,3S)-3-(1,3-dithian-2-yl)-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: (4-nitrophenyl) (1R,3S)-3-(1,3-dithian-2-yl)-2,2-dimethyl-cyclopropanecarboxylate CAS Name: (1R,3S)-3-(1,3-dithian-2-yl)-2,2-dimethyl-1-cyclopropanecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (1R,3S)-3-(1,3-dithian-2-yl)-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: (1R,3S)-3-(1,3-dithian-2-yl)-2,2-dimethyl-cyclopropanecarboxylic acid (4-nitrophenyl) ester Formula: C16H19NO4S2 MolecularWeight: 353.45636

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3SCCCS3)C

Isomeric SMILES

CC1([C@H]([C@H]1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3SCCCS3)C

InChI

InChI=1S/C16H19NO4S2/c1-16(2)12(13(16)15-22-8-3-9-23-15)14(18)21-11-6-4-10(5-7-11)17(19)20/h4-7,12-13,15H,3,8-9H2,1-2H3/t12-,13+/m0/s1