sodium 5-(2-chloranyl-4-methyl-phenoxy)-2-nitro-benzoate

Systemtic Name: sodium 5-(2-chloranyl-4-methyl-phenoxy)-2-nitro-benzoate Openeye Name: sodium 5-(2-chloro-4-methyl-phenoxy)-2-nitro-benzoate CAS Name: sodium 5-(2-chloro-4-methylphenoxy)-2-nitrobenzoate IUPAC Name: sodium 5-(2-chloro-4-methylphenoxy)-2-nitrobenzoate Traditional Name: sodium 5-(2-chloro-4-methyl-phenoxy)-2-nitro-benzoate Formula: C14H9ClNNaO5 MolecularWeight: 329.66773

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C14H10ClNO5.Na/c1-8-2-5-13(11(15)6-8)21-9-3-4-12(16(19)20)10(7-9)14(17)18;/h2-7H,1H3,(H,17,18);/q;+1/p-1