2-[2-chloranyl-6-(3,7,8-trimethoxy-5-oxidanyl-4-oxidanylidene-chromen-2-yl)phenoxy]ethanoic acid

Systemtic Name: 2-[2-chloranyl-6-(3,7,8-trimethoxy-5-oxidanyl-4-oxidanylidene-chromen-2-yl)phenoxy]ethanoic acid Openeye Name: 2-[2-chloro-6-(5-hydroxy-3,7,8-trimethoxy-4-oxo-chromen-2-yl)phenoxy]acetic acid CAS Name: 2-[2-chloro-6-(5-hydroxy-3,7,8-trimethoxy-4-oxo-1-benzopyran-2-yl)phenoxy]acetic acid IUPAC Name: 2-[2-chloro-6-(5-hydroxy-3,7,8-trimethoxy-4-oxochromen-2-yl)phenoxy]acetic acid Traditional Name: 2-[2-chloro-6-(5-hydroxy-4-keto-3,7,8-trimethoxy-chromen-2-yl)phenoxy]acetic acid Formula: C20H17ClO9 MolecularWeight: 436.79658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=C(C(=CC=C3)Cl)OCC(=O)O)OC)OC

Isomeric SMILES

COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=C(C(=CC=C3)Cl)OCC(=O)O)OC)OC

InChI

InChI=1S/C20H17ClO9/c1-26-12-7-11(22)14-15(25)20(28-3)17(30-19(14)18(12)27-2)9-5-4-6-10(21)16(9)29-8-13(23)24/h4-7,22H,8H2,1-3H3,(H,23,24)