3-(3-chloranylsulfonyl-2-methoxy-5-nitro-phenoxy)propanoic acid

Systemtic Name: 3-(3-chloranylsulfonyl-2-methoxy-5-nitro-phenoxy)propanoic acid Openeye Name: 3-(3-chlorosulfonyl-2-methoxy-5-nitro-phenoxy)propanoic acid CAS Name: 3-(3-chlorosulfonyl-2-methoxy-5-nitrophenoxy)propanoic acid IUPAC Name: 3-(3-chlorosulfonyl-2-methoxy-5-nitrophenoxy)propanoic acid Traditional Name: 3-(3-chlorosulfonyl-2-methoxy-5-nitro-phenoxy)propionic acid Formula: C10H10ClNO8S MolecularWeight: 339.7063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1S(=O)(=O)Cl)[N+](=O)[O-])OCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1S(=O)(=O)Cl)[N+](=O)[O-])OCCC(=O)O

InChI

InChI=1S/C10H10ClNO8S/c1-19-10-7(20-3-2-9(13)14)4-6(12(15)16)5-8(10)21(11,17)18/h4-5H,2-3H2,1H3,(H,13,14)