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

Systemtic Name: 8-[(E)-3-(5-chloranyl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-[(E)-3-(5-chloro-2-hydroxy-phenyl)-3-oxo-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-[(E)-3-(5-chloro-2-hydroxyphenyl)-3-oxoprop-1-enyl]-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-[(E)-3-(5-chloro-2-hydroxyphenyl)-3-oxoprop-1-enyl]-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-[(E)-3-(5-chloro-2-hydroxy-phenyl)-3-keto-prop-1-enyl]-4H-1,3-benzodioxin-6-carboxylic acid Formula: C18H13ClO6 MolecularWeight: 360.74522

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)C=CC(=O)C3=C(C=CC(=C3)Cl)O)C(=O)O

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)/C=C/C(=O)C3=C(C=CC(=C3)Cl)O)C(=O)O

InChI

InChI=1S/C18H13ClO6/c19-13-2-4-16(21)14(7-13)15(20)3-1-10-5-11(18(22)23)6-12-8-24-9-25-17(10)12/h1-7,21H,8-9H2,(H,22,23)/b3-1+