methyl 2-(2-chloranyl-6-nitro-phenyl)sulfanyl-3-methyl-butanoate

Systemtic Name: methyl 2-(2-chloranyl-6-nitro-phenyl)sulfanyl-3-methyl-butanoate Openeye Name: methyl 2-(2-chloro-6-nitro-phenyl)sulfanyl-3-methyl-butanoate CAS Name: 2-[(2-chloro-6-nitrophenyl)thio]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-(2-chloro-6-nitrophenyl)sulfanyl-3-methylbutanoate Traditional Name: 2-[(2-chloro-6-nitro-phenyl)thio]-3-methyl-butyric acid methyl ester Formula: C12H14ClNO4S MolecularWeight: 303.76186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)SC1=C(C=CC=C1Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)OC)SC1=C(C=CC=C1Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H14ClNO4S/c1-7(2)10(12(15)18-3)19-11-8(13)5-4-6-9(11)14(16)17/h4-7,10H,1-3H3