5-[2,4-bis(chloranyl)-6-methyl-phenoxy]-3-(2-hydroxyethyl)-2-nitro-benzoic acid

Systemtic Name: 5-[2,4-bis(chloranyl)-6-methyl-phenoxy]-3-(2-hydroxyethyl)-2-nitro-benzoic acid Openeye Name: 5-(2,4-dichloro-6-methyl-phenoxy)-3-(2-hydroxyethyl)-2-nitro-benzoic acid CAS Name: 5-(2,4-dichloro-6-methylphenoxy)-3-(2-hydroxyethyl)-2-nitrobenzoic acid IUPAC Name: 5-(2,4-dichloro-6-methylphenoxy)-3-(2-hydroxyethyl)-2-nitrobenzoic acid Traditional Name: 5-(2,4-dichloro-6-methyl-phenoxy)-3-(2-hydroxyethyl)-2-nitro-benzoic acid Formula: C16H13Cl2NO6 MolecularWeight: 386.18352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C(=C2)C(=O)O)[N+](=O)[O-])CCO)Cl)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C(=C2)C(=O)O)[N+](=O)[O-])CCO)Cl)Cl

InChI

InChI=1S/C16H13Cl2NO6/c1-8-4-10(17)6-13(18)15(8)25-11-5-9(2-3-20)14(19(23)24)12(7-11)16(21)22/h4-7,20H,2-3H2,1H3,(H,21,22)