(3,3-dimethyl-2-oxidanylidene-butyl) 2-(2-chloranyl-6-nitro-phenyl)sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(2-chloranyl-6-nitro-phenyl)sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(2-chloro-6-nitro-phenyl)sulfanylbenzoate CAS Name: 2-[(2-chloro-6-nitrophenyl)thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(2-chloro-6-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(2-chloro-6-nitro-phenyl)thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SC2=C(C=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SC2=C(C=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClNO5S/c1-19(2,3)16(22)11-26-18(23)12-7-4-5-10-15(12)27-17-13(20)8-6-9-14(17)21(24)25/h4-10H,11H2,1-3H3