6,7-bis(chloranyl)-5-(6-ethyl-3-oxidanylidene-cyclohexen-1-yl)-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 6,7-bis(chloranyl)-5-(6-ethyl-3-oxidanylidene-cyclohexen-1-yl)-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 6,7-dichloro-5-(6-ethyl-3-oxo-cyclohexen-1-yl)-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 6,7-dichloro-5-(6-ethyl-3-oxo-1-cyclohexenyl)-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 6,7-dichloro-5-(6-ethyl-3-oxocyclohexen-1-yl)-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 6,7-dichloro-5-(6-ethyl-3-keto-cyclohexen-1-yl)coumaran-2-carboxylic acid Formula: C17H16Cl2O4 MolecularWeight: 355.21254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(=O)C=C1C2=CC3=C(C(=C2Cl)Cl)OC(C3)C(=O)O

Isomeric SMILES

CCC1CCC(=O)C=C1C2=CC3=C(C(=C2Cl)Cl)OC(C3)C(=O)O

InChI

InChI=1S/C17H16Cl2O4/c1-2-8-3-4-10(20)7-11(8)12-5-9-6-13(17(21)22)23-16(9)15(19)14(12)18/h5,7-8,13H,2-4,6H2,1H3,(H,21,22)