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

Systemtic Name: 7-[(E)-3-(5-chloranyl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 7-[(E)-3-(5-chloro-2-hydroxy-phenyl)-3-oxo-prop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 7-[(E)-3-(5-chloro-2-hydroxyphenyl)-3-oxoprop-1-enyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 7-[(E)-3-(5-chloro-2-hydroxyphenyl)-3-oxoprop-1-enyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 7-[(E)-3-(5-chloro-2-hydroxy-phenyl)-3-keto-prop-1-enyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C18H12ClO6- MolecularWeight: 359.73728

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C(=C2)C(=O)[O-])C=CC(=O)C3=C(C=CC(=C3)Cl)O)OCO1

Isomeric SMILES

C1C2=C(C=C(C(=C2)C(=O)[O-])/C=C/C(=O)C3=C(C=CC(=C3)Cl)O)OCO1

InChI

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