(4-nitrophenyl)methyl 2-[2-(1,3-dithiolan-2-yl)phenoxy]ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(1,3-dithiolan-2-yl)phenoxy]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate CAS Name: 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate Traditional Name: 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetic acid (4-nitrobenzyl) ester Formula: C18H17NO5S2 MolecularWeight: 391.46128

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=CC=C2OCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CSC(S1)C2=CC=CC=C2OCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO5S2/c20-17(24-11-13-5-7-14(8-6-13)19(21)22)12-23-16-4-2-1-3-15(16)18-25-9-10-26-18/h1-8,18H,9-12H2