8-[3-(5-chloranyl-2-oxidanyl-phenyl)-1-oxidanyl-3-oxidanylidene-propyl]-4H-1,3-benzodioxine-6-carboxylic acid

Systemtic Name: 8-[3-(5-chloranyl-2-oxidanyl-phenyl)-1-oxidanyl-3-oxidanylidene-propyl]-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-[3-(5-chloro-2-hydroxy-phenyl)-1-hydroxy-3-oxo-propyl]-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-[3-(5-chloro-2-hydroxyphenyl)-1-hydroxy-3-oxopropyl]-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-[3-(5-chloro-2-hydroxyphenyl)-1-hydroxy-3-oxopropyl]-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-[3-(5-chloro-2-hydroxy-phenyl)-1-hydroxy-3-keto-propyl]-4H-1,3-benzodioxin-6-carboxylic acid Formula: C18H15ClO7 MolecularWeight: 378.7605

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)C(=O)O)C(CC(=O)C3=C(C=CC(=C3)Cl)O)O)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)C(=O)O)C(CC(=O)C3=C(C=CC(=C3)Cl)O)O)OCO1

InChI

InChI=1S/C18H15ClO7/c19-11-1-2-14(20)12(5-11)15(21)6-16(22)13-4-9(18(23)24)3-10-7-25-8-26-17(10)13/h1-5,16,20,22H,6-8H2,(H,23,24)