5-[2,4-bis(chloranyl)phenoxy]-2-nitro-3-(4-oxidanylbut-2-ynyl)benzoic acid

Systemtic Name: 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-3-(4-oxidanylbut-2-ynyl)benzoic acid Openeye Name: 5-(2,4-dichlorophenoxy)-3-(4-hydroxybut-2-ynyl)-2-nitro-benzoic acid CAS Name: 5-(2,4-dichlorophenoxy)-3-(4-hydroxybut-2-ynyl)-2-nitrobenzoic acid IUPAC Name: 5-(2,4-dichlorophenoxy)-3-(4-hydroxybut-2-ynyl)-2-nitrobenzoic acid Traditional Name: 5-(2,4-dichlorophenoxy)-3-(4-hydroxybut-2-ynyl)-2-nitro-benzoic acid Formula: C17H11Cl2NO6 MolecularWeight: 396.17834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)OC2=CC(=C(C(=C2)C(=O)O)[N+](=O)[O-])CC#CCO

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)OC2=CC(=C(C(=C2)C(=O)O)[N+](=O)[O-])CC#CCO

InChI

InChI=1S/C17H11Cl2NO6/c18-11-4-5-15(14(19)8-11)26-12-7-10(3-1-2-6-21)16(20(24)25)13(9-12)17(22)23/h4-5,7-9,21H,3,6H2,(H,22,23)