2-(4-chloranyl-2-ethoxycarbonyl-6-nitro-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(4-chloranyl-2-ethoxycarbonyl-6-nitro-phenyl)sulfanylethanoic acid Openeye Name: 2-(4-chloro-2-ethoxycarbonyl-6-nitro-phenyl)sulfanylacetic acid CAS Name: 2-[(4-chloro-2-ethoxycarbonyl-6-nitrophenyl)thio]acetic acid IUPAC Name: 2-(4-chloro-2-ethoxycarbonyl-6-nitrophenyl)sulfanylacetic acid Traditional Name: 2-[(2-carbethoxy-4-chloro-6-nitro-phenyl)thio]acetic acid Formula: C11H10ClNO6S MolecularWeight: 319.7182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1SCC(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1SCC(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H10ClNO6S/c1-2-19-11(16)7-3-6(12)4-8(13(17)18)10(7)20-5-9(14)15/h3-4H,2,5H2,1H3,(H,14,15)