(2-oxidanylidene-2-propan-2-yloxy-ethyl) 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-chlorophenyl)thio]-5-nitrobenzoic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 2-(4-chlorophenyl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(4-chlorophenyl)thio]-5-nitro-benzoic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C18H16ClNO6S MolecularWeight: 409.84074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)OC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H16ClNO6S/c1-11(2)26-17(21)10-25-18(22)15-9-13(20(23)24)5-8-16(15)27-14-6-3-12(19)4-7-14/h3-9,11H,10H2,1-2H3