2-[[2-but-3-ynyl-6,7-bis(chloranyl)-1-oxidanylidene-2-phenyl-3H-inden-5-yl]oxy]ethanoic acid

Systemtic Name: 2-[[2-but-3-ynyl-6,7-bis(chloranyl)-1-oxidanylidene-2-phenyl-3H-inden-5-yl]oxy]ethanoic acid Openeye Name: 2-(2-but-3-ynyl-6,7-dichloro-1-oxo-2-phenyl-indan-5-yl)oxyacetic acid CAS Name: 2-[(2-but-3-ynyl-6,7-dichloro-1-oxo-2-phenyl-3H-inden-5-yl)oxy]acetic acid IUPAC Name: 2-[(2-but-3-ynyl-6,7-dichloro-1-oxo-2-phenyl-3H-inden-5-yl)oxy]acetic acid Traditional Name: 2-(2-but-3-ynyl-6,7-dichloro-1-keto-2-phenyl-indan-5-yl)oxyacetic acid Formula: C21H16Cl2O4 MolecularWeight: 403.25534

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C#CCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H16Cl2O4/c1-2-3-9-21(14-7-5-4-6-8-14)11-13-10-15(27-12-16(24)25)18(22)19(23)17(13)20(21)26/h1,4-8,10H,3,9,11-12H2,(H,24,25)